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

Systemtic Name: 2-chloranyl-N-[1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]benzamide Openeye Name: 2-chloro-N-[1-methyl-2-oxo-2-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]ethyl]benzamide CAS Name: 2-chloro-N-[1-oxo-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]benzamide IUPAC Name: 2-chloro-N-[1-oxo-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]benzamide Traditional Name: 2-chloro-N-[2-keto-1-methyl-2-[4-(2-thenyl)-1,4-diazepan-1-yl]ethyl]benzamide Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCN(CC1)CC2=CC=CS2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C(=O)N1CCCN(CC1)CC2=CC=CS2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H24ClN3O2S/c1-15(22-19(25)17-7-2-3-8-18(17)21)20(26)24-10-5-9-23(11-12-24)14-16-6-4-13-27-16/h2-4,6-8,13,15H,5,9-12,14H2,1H3,(H,22,25)