1-[(4-chlorophenyl)methyl]-3-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O2S2/c1-2-19-5-3-4-14-25(19)29(26,27)20-12-10-18(11-13-20)24-21(28)23-15-16-6-8-17(22)9-7-16/h6-13,19H,2-5,14-15H2,1H3,(H2,23,24,28)