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

Systemtic Name: 1-[2-(3-chlorophenyl)ethyl]-3-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-[2-(3-chlorophenyl)ethyl]-3-[4-[(2-methyl-1-piperidyl)sulfonyl]phenyl]thiourea CAS Name: 1-[2-(3-chlorophenyl)ethyl]-3-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-[2-(3-chlorophenyl)ethyl]-3-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-[2-(3-chlorophenyl)ethyl]-3-[4-(2-methylpiperidino)sulfonylphenyl]thiourea Formula: C21H26ClN3O2S2 MolecularWeight: 452.03304

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H26ClN3O2S2/c1-16-5-2-3-14-25(16)29(26,27)20-10-8-19(9-11-20)24-21(28)23-13-12-17-6-4-7-18(22)15-17/h4,6-11,15-16H,2-3,5,12-14H2,1H3,(H2,23,24,28)