1-[3-(azepan-1-yl)propyl]-1-(furan-2-ylmethyl)-3-(4-phenoxyphenyl)thiourea

Systemtic Name: 1-[3-(azepan-1-yl)propyl]-1-(furan-2-ylmethyl)-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-[3-(azepan-1-yl)propyl]-1-(2-furylmethyl)-3-(4-phenoxyphenyl)thiourea CAS Name: 1-[3-(1-azepanyl)propyl]-1-(2-furanylmethyl)-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-[3-(azepan-1-yl)propyl]-1-(furan-2-ylmethyl)-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-[3-(azepan-1-yl)propyl]-1-(2-furfuryl)-3-(4-phenoxyphenyl)thiourea Formula: C27H33N3O2S MolecularWeight: 463.63482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O2S/c33-27(28-23-13-15-25(16-14-23)32-24-10-4-3-5-11-24)30(22-26-12-8-21-31-26)20-9-19-29-17-6-1-2-7-18-29/h3-5,8,10-16,21H,1-2,6-7,9,17-20,22H2,(H,28,33)