N-[[[4-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-2-methyl-benzamide

Systemtic Name: N-[[[4-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-2-methyl-benzamide Openeye Name: N-[[[4-(3,4-dimethylanilino)-4-oxo-butanoyl]amino]carbamothioyl]-2-methyl-benzamide CAS Name: N-[[[4-(3,4-dimethylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-2-methylbenzamide IUPAC Name: N-[[[4-(3,4-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]-2-methylbenzamide Traditional Name: N-[[[4-(3,4-dimethylanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-2-methyl-benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2C)C

InChI

InChI=1S/C21H24N4O3S/c1-13-8-9-16(12-15(13)3)22-18(26)10-11-19(27)24-25-21(29)23-20(28)17-7-5-4-6-14(17)2/h4-9,12H,10-11H2,1-3H3,(H,22,26)(H,24,27)(H2,23,25,28,29)