N-[[3-chloranyl-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[3-chloranyl-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[3-chloro-4-(4-methyl-1-piperidyl)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[3-chloro-4-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[3-chloro-4-(4-methylpiperidino)phenyl]thiocarbamoyl]-2-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/c1-13-8-10-24(11-9-13)18-7-6-14(12-16(18)21)22-20(29)23-19(26)15-4-2-3-5-17(15)25(27)28/h2-7,12-13H,8-11H2,1H3,(H2,22,23,26,29)