O-[4-[(3-nitrophenyl)carbamoyl]phenyl] 4-methylpiperidine-1-carbothioate

Systemtic Name: O-[4-[(3-nitrophenyl)carbamoyl]phenyl] 4-methylpiperidine-1-carbothioate Openeye Name: O-[4-[(3-nitrophenyl)carbamoyl]phenyl] 4-methylpiperidine-1-carbothioate CAS Name: 4-methyl-1-piperidinecarbothioic acid O-[4-[(3-nitroanilino)-oxomethyl]phenyl] ester IUPAC Name: O-[4-[(3-nitrophenyl)carbamoyl]phenyl] 4-methylpiperidine-1-carbothioate Traditional Name: 4-methylpiperidine-1-carbothioic acid O-[4-[(3-nitrophenyl)carbamoyl]phenyl] ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)OC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=S)OC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c1-14-9-11-22(12-10-14)20(28)27-18-7-5-15(6-8-18)19(24)21-16-3-2-4-17(13-16)23(25)26/h2-8,13-14H,9-12H2,1H3,(H,21,24)