N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methyl-benzamide

Systemtic Name: N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methyl-benzamide Openeye Name: N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methyl-benzamide CAS Name: N-[[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-methylbenzamide IUPAC Name: N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methylbenzamide Traditional Name: N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-methyl-benzamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C3NC4=CC(=CC(=C4O3)C)C)C(=O)C=C2

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=C/C(=C\3/NC4=CC(=CC(=C4O3)C)C)/C(=O)C=C2

InChI

InChI=1S/C24H21N3O3S/c1-13-10-15(3)21-19(11-13)26-23(30-21)18-12-16(8-9-20(18)28)25-24(31)27-22(29)17-7-5-4-6-14(17)2/h4-12,26H,1-3H3,(H2,25,27,29,31)/b23-18+