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

Systemtic Name: N-[[3-chloranyl-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[3-chloro-4-(4-methyl-1-piperidyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[3-chloro-4-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[3-chloro-4-(4-methylpiperidino)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C20H21ClN4O3S MolecularWeight: 432.92374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O3S/c1-13-7-9-24(10-8-13)18-6-5-15(12-17(18)21)22-20(29)23-19(26)14-3-2-4-16(11-14)25(27)28/h2-6,11-13H,7-10H2,1H3,(H2,22,23,26,29)