4-chloranyl-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C20H21ClN4O5S2 MolecularWeight: 496.98754

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O5S2/c1-13-8-10-24(11-9-13)32(29,30)16-5-3-15(4-6-16)22-20(31)23-19(26)14-2-7-17(21)18(12-14)25(27)28/h2-7,12-13H,8-11H2,1H3,(H2,22,23,26,31)