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

Systemtic Name: N-[[[4-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[[[4-(3,4-dimethylanilino)-4-oxo-butanoyl]amino]carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[[4-(3,4-dimethylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[[[4-(3,4-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[[[4-(3,4-dimethylanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-4-ethoxy-benzamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C22H26N4O4S/c1-4-30-18-9-6-16(7-10-18)21(29)24-22(31)26-25-20(28)12-11-19(27)23-17-8-5-14(2)15(3)13-17/h5-10,13H,4,11-12H2,1-3H3,(H,23,27)(H,25,28)(H2,24,26,29,31)