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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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