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

Systemtic Name: N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3-methyl-benzamide Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C3NC4=CC=CC=C4O3)C(=O)C(=C2)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=C/C(=C\3/NC4=CC=CC=C4O3)/C(=O)C(=C2)C

InChI

InChI=1S/C23H19N3O3S/c1-13-6-5-7-15(10-13)21(28)26-23(30)24-16-11-14(2)20(27)17(12-16)22-25-18-8-3-4-9-19(18)29-22/h3-12,25H,1-2H3,(H2,24,26,28,30)/b22-17+