[4-(4-oxidanylpiperidin-1-yl)carbothioylphenyl] 3-nitrobenzoate

Systemtic Name: [4-(4-oxidanylpiperidin-1-yl)carbothioylphenyl] 3-nitrobenzoate Openeye Name: [4-(4-hydroxypiperidine-1-carbothioyl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(4-hydroxy-1-piperidinyl)-sulfanylidenemethyl]phenyl] ester IUPAC Name: [4-(4-hydroxypiperidine-1-carbothioyl)phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(4-hydroxypiperidine-1-carbothioyl)phenyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C(=S)C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1O)C(=S)C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5S/c22-16-8-10-20(11-9-16)18(27)13-4-6-17(7-5-13)26-19(23)14-2-1-3-15(12-14)21(24)25/h1-7,12,16,22H,8-11H2