N-[[4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[[4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[[4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[[4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)OC)N2

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)OC)N2

InChI

InChI=1S/C25H23N3O5S/c1-13-9-18-21(10-14(13)2)33-24(27-18)17-7-6-16(12-19(17)29)26-25(34)28-23(30)15-5-8-20(31-3)22(11-15)32-4/h5-12,27H,1-4H3,(H2,26,28,30,34)