[4-(4-methylpiperidin-1-yl)carbothioylphenyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [4-(4-methylpiperidin-1-yl)carbothioylphenyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [4-(4-methylpiperidine-1-carbothioyl)phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [4-[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]phenyl] ester IUPAC Name: [4-(4-methylpiperidine-1-carbothioyl)phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [4-(4-methylpiperidine-1-carbothioyl)phenyl] ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4S/c1-13-8-10-22(11-9-13)19(28)14-2-5-16(6-3-14)27-20(24)15-4-7-17(21)18(12-15)23(25)26/h2-7,12-13H,8-11H2,1H3