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

Systemtic Name: 1-[3-(azepan-1-yl)propyl]-3-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[3-(azepan-1-yl)propyl]-3-(4-methoxyphenyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-[3-(1-azepanyl)propyl]-3-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[3-(azepan-1-yl)propyl]-3-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[3-(azepan-1-yl)propyl]-3-(4-methoxyphenyl)-1-(2-thenyl)thiourea Formula: C22H31N3OS2 MolecularWeight: 417.63104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N(CCCN2CCCCCC2)CC3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N(CCCN2CCCCCC2)CC3=CC=CS3

InChI

InChI=1S/C22H31N3OS2/c1-26-20-11-9-19(10-12-20)23-22(27)25(18-21-8-6-17-28-21)16-7-15-24-13-4-2-3-5-14-24/h6,8-12,17H,2-5,7,13-16,18H2,1H3,(H,23,27)