1-[(4-fluorophenyl)-thiophen-2-yl-methyl]-3-[3-(2-oxidanylideneazepan-1-yl)propyl]urea

Systemtic Name: 1-[(4-fluorophenyl)-thiophen-2-yl-methyl]-3-[3-(2-oxidanylideneazepan-1-yl)propyl]urea Openeye Name: 1-[(4-fluorophenyl)-(2-thienyl)methyl]-3-[3-(2-oxoazepan-1-yl)propyl]urea CAS Name: 1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[3-(2-oxo-1-azepanyl)propyl]urea IUPAC Name: 1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[3-(2-oxoazepan-1-yl)propyl]urea Traditional Name: 1-[(4-fluorophenyl)-(2-thienyl)methyl]-3-[3-(2-ketoazepan-1-yl)propyl]urea Formula: C21H26FN3O2S MolecularWeight: 403.513443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C21H26FN3O2S/c22-17-10-8-16(9-11-17)20(18-6-4-15-28-18)24-21(27)23-12-5-14-25-13-3-1-2-7-19(25)26/h4,6,8-11,15,20H,1-3,5,7,12-14H2,(H2,23,24,27)