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

Systemtic Name: 2-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzamide Openeye Name: 2-chloro-N-[3-methylsulfanyl-1-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]propyl]benzamide CAS Name: 2-chloro-N-[4-(methylthio)-1-oxo-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzamide IUPAC Name: 2-chloro-N-[4-methylsulfanyl-1-oxo-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzamide Traditional Name: 2-chloro-N-[3-(methylthio)-1-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]propyl]benzamide Formula: C22H28ClN3O2S2 MolecularWeight: 466.05962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O2S2/c1-29-15-9-20(24-21(27)18-7-2-3-8-19(18)23)22(28)26-11-5-10-25(12-13-26)16-17-6-4-14-30-17/h2-4,6-8,14,20H,5,9-13,15-16H2,1H3,(H,24,27)