1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[4-[(2-methyl-1-piperidyl)sulfonyl]phenyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[4-(2-methylpiperidino)sulfonylphenyl]-3-(4-nitrophenyl)thiourea Formula: C19H22N4O4S2 MolecularWeight: 434.53238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4S2/c1-14-4-2-3-13-22(14)29(26,27)18-11-7-16(8-12-18)21-19(28)20-15-5-9-17(10-6-15)23(24)25/h5-12,14H,2-4,13H2,1H3,(H2,20,21,28)