N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-4-phenyl-benzamide Formula: C24H21ClN4O3S MolecularWeight: 480.96654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NNC(=O)CCC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NNC(=O)CCC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C24H21ClN4O3S/c25-19-8-4-5-9-20(19)26-21(30)14-15-22(31)28-29-24(33)27-23(32)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,26,30)(H,28,31)(H2,27,29,32,33)