N-(3-methylphenyl)-4-[6-(2-morpholin-4-ylethylamino)-5-nitro-pyridin-2-yl]piperazine-1-carbothioamide

Systemtic Name: N-(3-methylphenyl)-4-[6-(2-morpholin-4-ylethylamino)-5-nitro-pyridin-2-yl]piperazine-1-carbothioamide Openeye Name: 4-[6-(2-morpholinoethylamino)-5-nitro-2-pyridyl]-N-(m-tolyl)piperazine-1-carbothioamide CAS Name: N-(3-methylphenyl)-4-[6-[2-(4-morpholinyl)ethylamino]-5-nitro-2-pyridinyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-methylphenyl)-4-[6-(2-morpholin-4-ylethylamino)-5-nitropyridin-2-yl]piperazine-1-carbothioamide Traditional Name: 4-[6-(2-morpholinoethylamino)-5-nitro-2-pyridyl]-N-(m-tolyl)piperazine-1-carbothioamide Formula: C23H31N7O3S MolecularWeight: 485.60234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=NC(=C(C=C3)[N+](=O)[O-])NCCN4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=NC(=C(C=C3)[N+](=O)[O-])NCCN4CCOCC4

InChI

InChI=1S/C23H31N7O3S/c1-18-3-2-4-19(17-18)25-23(34)29-11-9-28(10-12-29)21-6-5-20(30(31)32)22(26-21)24-7-8-27-13-15-33-16-14-27/h2-6,17H,7-16H2,1H3,(H,24,26)(H,25,34)