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

Systemtic Name: 1-[(4-methylphenyl)-thiophen-2-yl-methyl]-3-[3-(2-oxidanylideneazepan-1-yl)propyl]urea Openeye Name: 1-[3-(2-oxoazepan-1-yl)propyl]-3-[p-tolyl(2-thienyl)methyl]urea CAS Name: 1-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-[3-(2-oxo-1-azepanyl)propyl]urea IUPAC Name: 1-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-[3-(2-oxoazepan-1-yl)propyl]urea Traditional Name: 1-[3-(2-ketoazepan-1-yl)propyl]-3-[p-tolyl(2-thienyl)methyl]urea Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)NCCCN3CCCCCC3=O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)NCCCN3CCCCCC3=O

InChI

InChI=1S/C22H29N3O2S/c1-17-9-11-18(12-10-17)21(19-7-5-16-28-19)24-22(27)23-13-6-15-25-14-4-2-3-8-20(25)26/h5,7,9-12,16,21H,2-4,6,8,13-15H2,1H3,(H2,23,24,27)