1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[4-(3,5-dimethylpiperidino)sulfonylphenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C21H26N4O5S2 MolecularWeight: 478.58494

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C

InChI

InChI=1S/C21H26N4O5S2/c1-14-10-15(2)13-24(12-14)32(28,29)18-7-4-16(5-8-18)22-21(31)23-19-9-6-17(25(26)27)11-20(19)30-3/h4-9,11,14-15H,10,12-13H2,1-3H3,(H2,22,23,31)