1-[3-(1-methylpiperidin-4-yl)carbonylphenyl]-3-(3-nitrophenyl)sulfanyl-urea

Systemtic Name: 1-[3-(1-methylpiperidin-4-yl)carbonylphenyl]-3-(3-nitrophenyl)sulfanyl-urea Openeye Name: 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-nitrophenyl)sulfanyl-urea CAS Name: 1-[3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl]-3-[(3-nitrophenyl)thio]urea IUPAC Name: 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(3-nitrophenyl)sulfanylurea Traditional Name: 1-[3-(1-methylisonipecotoyl)phenyl]-3-[(3-nitrophenyl)thio]urea Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)NC(=O)NSC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)NC(=O)NSC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-23-10-8-14(9-11-23)19(25)15-4-2-5-16(12-15)21-20(26)22-29-18-7-3-6-17(13-18)24(27)28/h2-7,12-14H,8-11H2,1H3,(H2,21,22,26)