[4-(4-methylpiperidin-1-yl)carbothioylphenyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [4-(4-methylpiperidin-1-yl)carbothioylphenyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [4-(4-methylpiperidine-1-carbothioyl)phenyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [4-[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]phenyl] ester IUPAC Name: [4-(4-methylpiperidine-1-carbothioyl)phenyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-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=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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