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

Systemtic Name: 1-[2-(azepan-1-yl)ethyl]-3-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[2-(azepan-1-yl)ethyl]-3-(4-methoxyphenyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-[2-(1-azepanyl)ethyl]-3-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[2-(azepan-1-yl)ethyl]-3-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[2-(azepan-1-yl)ethyl]-3-(4-methoxyphenyl)-1-(2-thenyl)thiourea Formula: C21H29N3OS2 MolecularWeight: 403.60446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N(CCN2CCCCCC2)CC3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N(CCN2CCCCCC2)CC3=CC=CS3

InChI

InChI=1S/C21H29N3OS2/c1-25-19-10-8-18(9-11-19)22-21(26)24(17-20-7-6-16-27-20)15-14-23-12-4-2-3-5-13-23/h6-11,16H,2-5,12-15,17H2,1H3,(H,22,26)