1-(5-chloranyl-2-piperidin-1-yl-phenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea

Systemtic Name: 1-(5-chloranyl-2-piperidin-1-yl-phenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea Openeye Name: 1-[5-chloro-2-(1-piperidyl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]thiourea CAS Name: 1-[5-chloro-2-(1-piperidinyl)phenyl]-3-[2-(4-methoxyphenyl)ethyl]thiourea IUPAC Name: 1-(5-chloro-2-piperidin-1-ylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea Traditional Name: 1-(5-chloro-2-piperidino-phenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea Formula: C21H26ClN3OS MolecularWeight: 403.96864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=S)NC2=C(C=CC(=C2)Cl)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=S)NC2=C(C=CC(=C2)Cl)N3CCCCC3

InChI

InChI=1S/C21H26ClN3OS/c1-26-18-8-5-16(6-9-18)11-12-23-21(27)24-19-15-17(22)7-10-20(19)25-13-3-2-4-14-25/h5-10,15H,2-4,11-14H2,1H3,(H2,23,24,27)