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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N(CCCN2CCCCCC2)CC3=CC=CO3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N(CCCN2CCCCCC2)CC3=CC=CO3

InChI

InChI=1S/C22H31N3O2S/c1-26-20-10-6-9-19(17-20)23-22(28)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,23,28)