N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-(4-propan-2-ylphenyl)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-propan-2-ylphenyl)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-isopropylphenyl)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-propan-2-ylphenyl)-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-propan-2-ylphenyl)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-p-cumenyl-acrylamide Formula: C29H29N3O3S MolecularWeight: 499.62386

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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)C(C)C)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)C(C)C)N2

InChI

InChI=1S/C29H29N3O3S/c1-5-19-8-12-25-24(15-19)31-28(35-25)23-16-22(14-18(4)27(23)34)30-29(36)32-26(33)13-9-20-6-10-21(11-7-20)17(2)3/h6-17,31H,5H2,1-4H3,(H2,30,32,33,36)