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

Systemtic Name: 1-[2-(azepan-1-yl)ethyl]-1-(furan-2-ylmethyl)-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[2-(azepan-1-yl)ethyl]-1-(2-furylmethyl)-3-(3-methoxyphenyl)thiourea CAS Name: 1-[2-(1-azepanyl)ethyl]-1-(2-furanylmethyl)-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[2-(azepan-1-yl)ethyl]-1-(furan-2-ylmethyl)-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[2-(azepan-1-yl)ethyl]-1-(2-furfuryl)-3-(3-methoxyphenyl)thiourea Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N(CCN2CCCCCC2)CC3=CC=CO3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N(CCN2CCCCCC2)CC3=CC=CO3

InChI

InChI=1S/C21H29N3O2S/c1-25-19-9-6-8-18(16-19)22-21(27)24(17-20-10-7-15-26-20)14-13-23-11-4-2-3-5-12-23/h6-10,15-16H,2-5,11-14,17H2,1H3,(H,22,27)