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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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