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

Systemtic Name: N-[[4-oxidanylidene-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[[4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-4-propoxy-benzamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C3NC4=C(O3)C=CC(=C4)C(C)C)C(=O)C=C2

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C3NC4=C(O3)C=CC(=C4)C(C)C)C(=O)C=C2

InChI

InChI=1S/C27H27N3O4S/c1-4-13-33-20-9-5-17(6-10-20)25(32)30-27(35)28-19-8-11-23(31)21(15-19)26-29-22-14-18(16(2)3)7-12-24(22)34-26/h5-12,14-16,29H,4,13H2,1-3H3,(H2,28,30,32,35)