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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC(=CC(=C4)C)C)N2

Isomeric SMILES

CC1=CC2=C(C=C1)O/C(=C/3\C=CC(=CC3=O)NC(=S)NC(=O)C4=CC(=CC(=C4)C)C)/N2

InChI

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