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

Systemtic Name: N-[[[4-[(2,4-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]benzamide Openeye Name: N-[[[4-(2,4-dimethylanilino)-4-oxo-butanoyl]amino]carbamothioyl]benzamide CAS Name: N-[[[4-(2,4-dimethylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[[4-(2,4-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]benzamide Traditional Name: N-[[[4-(2,4-dimethylanilino)-4-keto-butanoyl]amino]thiocarbamoyl]benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-13-8-9-16(14(2)12-13)21-17(25)10-11-18(26)23-24-20(28)22-19(27)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,21,25)(H,23,26)(H2,22,24,27,28)