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

Systemtic Name: N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3-methyl-benzamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C3NC4=C(O3)C=C(C(=C4)C)C)C(=O)C=C2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C3NC4=C(O3)C=C(C(=C4)C)C)C(=O)C=C2

InChI

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