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

Systemtic Name: 1-[3-(azepan-1-yl)propyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)thiourea Openeye Name: 1-[3-(azepan-1-yl)propyl]-1-(2-furylmethyl)-3-(2-methoxyphenyl)thiourea CAS Name: 1-[3-(1-azepanyl)propyl]-1-(2-furanylmethyl)-3-(2-methoxyphenyl)thiourea IUPAC Name: 1-[3-(azepan-1-yl)propyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)thiourea Traditional Name: 1-[3-(azepan-1-yl)propyl]-1-(2-furfuryl)-3-(2-methoxyphenyl)thiourea Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)N(CCCN2CCCCCC2)CC3=CC=CO3

Isomeric SMILES

COC1=CC=CC=C1NC(=S)N(CCCN2CCCCCC2)CC3=CC=CO3

InChI

InChI=1S/C22H31N3O2S/c1-26-21-12-5-4-11-20(21)23-22(28)25(18-19-10-8-17-27-19)16-9-15-24-13-6-2-3-7-14-24/h4-5,8,10-12,17H,2-3,6-7,9,13-16,18H2,1H3,(H,23,28)