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2-(1-adamantyl)-N-[[4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]ethanamide

2-(1-adamantyl)-N-[[4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]ethanamide

Systemtic Name:2-(1-adamantyl)-N-[[4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]ethanamide
Openeye Name:2-(1-adamantyl)-N-[[4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide
CAS Name:2-(1-adamantyl)-N-[[[4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]acetamide
IUPAC Name:2-(1-adamantyl)-N-[[4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide
Traditional Name:2-(1-adamantyl)-N-[[4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]acetamide
Formula: C28H31N3O3S
MolecularWeight: 489.62904
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)N2


Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)N2


InChI

InChI=1S/C28H31N3O3S/c1-2-16-3-6-24-22(10-16)30-26(34-24)21-5-4-20(11-23(21)32)29-27(35)31-25(33)15-28-12-17-7-18(13-28)9-19(8-17)14-28/h3-6,10-11,17-19,30H,2,7-9,12-15H2,1H3,(H2,29,31,33,35)


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