[4-(4-methylpiperidin-1-yl)carbothioylphenyl] 4-nitrobenzoate

Systemtic Name: [4-(4-methylpiperidin-1-yl)carbothioylphenyl] 4-nitrobenzoate Openeye Name: [4-(4-methylpiperidine-1-carbothioyl)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]phenyl] ester IUPAC Name: [4-(4-methylpiperidine-1-carbothioyl)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-(4-methylpiperidine-1-carbothioyl)phenyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-14-10-12-21(13-11-14)19(27)15-4-8-18(9-5-15)26-20(23)16-2-6-17(7-3-16)22(24)25/h2-9,14H,10-13H2,1H3