1-[2-(azepan-1-yl)ethyl]-3-(3-methylsulfanylphenyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-[2-(azepan-1-yl)ethyl]-3-(3-methylsulfanylphenyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[2-(azepan-1-yl)ethyl]-3-(3-methylsulfanylphenyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-[2-(1-azepanyl)ethyl]-3-[3-(methylthio)phenyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[2-(azepan-1-yl)ethyl]-3-(3-methylsulfanylphenyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[2-(azepan-1-yl)ethyl]-3-[3-(methylthio)phenyl]-1-(2-thenyl)thiourea Formula: C21H29N3S3 MolecularWeight: 419.67006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=S)N(CCN2CCCCCC2)CC3=CC=CS3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=S)N(CCN2CCCCCC2)CC3=CC=CS3

InChI

InChI=1S/C21H29N3S3/c1-26-19-9-6-8-18(16-19)22-21(25)24(17-20-10-7-15-27-20)14-13-23-11-4-2-3-5-12-23/h6-10,15-16H,2-5,11-14,17H2,1H3,(H,22,25)