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

Systemtic Name: N-[[(4E)-4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methyl-benzamide Openeye Name: N-[[(4E)-4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methyl-benzamide CAS Name: N-[[[(4E)-4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-methylbenzamide IUPAC Name: N-[[(4E)-4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methylbenzamide Traditional Name: N-[[(4E)-4-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-methyl-benzamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=CC=C4C)N2

Isomeric SMILES

CCC1=CC2=C(C=C1)O/C(=C/3\C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=CC=C4C)/N2

InChI

InChI=1S/C24H21N3O3S/c1-3-15-8-11-21-19(12-15)26-23(30-21)18-10-9-16(13-20(18)28)25-24(31)27-22(29)17-7-5-4-6-14(17)2/h4-13,26H,3H2,1-2H3,(H2,25,27,29,31)/b23-18+