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

Systemtic Name: N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: N-[[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C3C=C(C=C(C3=O)C)NC(=S)NC(=O)C=CC4=CC=C(C=C4)OC)N2

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C3C=C(C=C(C3=O)C)NC(=S)NC(=O)C=CC4=CC=C(C=C4)OC)N2

InChI

InChI=1S/C27H25N3O4S/c1-4-17-7-11-23-22(14-17)29-26(34-23)21-15-19(13-16(2)25(21)32)28-27(35)30-24(31)12-8-18-5-9-20(33-3)10-6-18/h5-15,29H,4H2,1-3H3,(H2,28,30,31,35)