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

Systemtic Name: N-[2-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]benzamide Openeye Name: N-[2-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]phenyl]benzamide CAS Name: N-[2-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]benzamide IUPAC Name: N-[2-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]phenyl]benzamide Traditional Name: N-[2-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]phenyl]benzamide Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C24H25N3O2S/c28-23(19-8-2-1-3-9-19)25-22-12-5-4-11-21(22)24(29)27-14-7-13-26(15-16-27)18-20-10-6-17-30-20/h1-6,8-12,17H,7,13-16,18H2,(H,25,28)