N-(2-chloranyl-6-methyl-phenyl)-2-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-2-phenyl-ethanamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-2-phenyl-ethanamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-2-phenyl-acetamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]-2-phenylacetamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[(4-methoxy-2-nitrophenyl)carbamothioylamino]-2-phenylacetamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-[(4-methoxy-2-nitro-phenyl)thiocarbamoylamino]-2-phenyl-acetamide Formula: C23H21ClN4O4S MolecularWeight: 484.95524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)C(C2=CC=CC=C2)NC(=S)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C(C2=CC=CC=C2)NC(=S)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H21ClN4O4S/c1-14-7-6-10-17(24)20(14)26-22(29)21(15-8-4-3-5-9-15)27-23(33)25-18-12-11-16(32-2)13-19(18)28(30)31/h3-13,21H,1-2H3,(H,26,29)(H2,25,27,33)