2-chloranyl-N-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide

Systemtic Name: 2-chloranyl-N-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide Openeye Name: 2-chloro-N-[2-oxo-2-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide CAS Name: 2-chloro-N-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide IUPAC Name: 2-chloro-N-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide Traditional Name: 2-chloro-N-[2-keto-2-[4-(2-thenyl)-1,4-diazepan-1-yl]ethyl]benzamide Formula: C19H22ClN3O2S MolecularWeight: 391.91488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CNC(=O)C2=CC=CC=C2Cl)CC3=CC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CNC(=O)C2=CC=CC=C2Cl)CC3=CC=CS3

InChI

InChI=1S/C19H22ClN3O2S/c20-17-7-2-1-6-16(17)19(25)21-13-18(24)23-9-4-8-22(10-11-23)14-15-5-3-12-26-15/h1-3,5-7,12H,4,8-11,13-14H2,(H,21,25)