1-[3-(azepan-1-yl)propyl]-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-[3-(azepan-1-yl)propyl]-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[3-(azepan-1-yl)propyl]-3-(p-tolyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-[3-(1-azepanyl)propyl]-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[3-(azepan-1-yl)propyl]-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[3-(azepan-1-yl)propyl]-3-(p-tolyl)-1-(2-thenyl)thiourea Formula: C22H31N3S2 MolecularWeight: 401.63164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N(CCCN2CCCCCC2)CC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N(CCCN2CCCCCC2)CC3=CC=CS3

InChI

InChI=1S/C22H31N3S2/c1-19-9-11-20(12-10-19)23-22(26)25(18-21-8-6-17-27-21)16-7-15-24-13-4-2-3-5-14-24/h6,8-12,17H,2-5,7,13-16,18H2,1H3,(H,23,26)