N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]-4-phenyl-benzamide CAS Name: N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-4-phenylbenzamide Traditional Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]-4-phenyl-benzamide Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O3S/c1-13-11-19(25(27)28)17(22)12-18(13)23-21(29)24-20(26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,26,29)