1-(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)-3-(2-nitrophenyl)thiourea

Systemtic Name: 1-(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)-3-(2-nitrophenyl)thiourea Openeye Name: 1-[4-methyl-2-(1-piperidylsulfonyl)phenyl]-3-(2-nitrophenyl)thiourea CAS Name: 1-[4-methyl-2-(1-piperidinylsulfonyl)phenyl]-3-(2-nitrophenyl)thiourea IUPAC Name: 1-(4-methyl-2-piperidin-1-ylsulfonylphenyl)-3-(2-nitrophenyl)thiourea Traditional Name: 1-(4-methyl-2-piperidinosulfonyl-phenyl)-3-(2-nitrophenyl)thiourea Formula: C19H22N4O4S2 MolecularWeight: 434.53238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H22N4O4S2/c1-14-9-10-16(18(13-14)29(26,27)22-11-5-2-6-12-22)21-19(28)20-15-7-3-4-8-17(15)23(24)25/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H2,20,21,28)