N-[3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]cyclohexanecarboxamide

Systemtic Name: N-[3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]cyclohexanecarboxamide Openeye Name: N-[3-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]phenyl]cyclohexanecarboxamide CAS Name: N-[3-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[3-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]phenyl]cyclohexanecarboxamide Traditional Name: N-[3-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]phenyl]cyclohexanecarboxamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC=CC(=C2)C(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC=CC(=C2)C(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C24H31N3O2S/c28-23(19-7-2-1-3-8-19)25-21-10-4-9-20(17-21)24(29)27-13-6-12-26(14-15-27)18-22-11-5-16-30-22/h4-5,9-11,16-17,19H,1-3,6-8,12-15,18H2,(H,25,28)