N-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[2-[(4-chlorophenyl)thio]anilino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[2-(4-chlorophenyl)sulfanylphenyl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[2-[(4-chlorophenyl)thio]phenyl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C21H16ClN3O3S2 MolecularWeight: 457.95304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H16ClN3O3S2/c1-13-16(5-4-7-18(13)25(27)28)20(26)24-21(29)23-17-6-2-3-8-19(17)30-15-11-9-14(22)10-12-15/h2-12H,1H3,(H2,23,24,26,29)