2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-[(8-chloro-1-naphthyl)sulfanyl]-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(8-chloronaphthalen-1-yl)sulfanyl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(8-chloro-1-naphthyl)thio]-1-[4-(3-thenyl)-1,4-diazepan-1-yl]ethanone Formula: C22H23ClN2OS2 MolecularWeight: 431.01382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)CC4=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)CC4=CSC=C4

InChI

InChI=1S/C22H23ClN2OS2/c23-19-6-1-4-18-5-2-7-20(22(18)19)28-16-21(26)25-10-3-9-24(11-12-25)14-17-8-13-27-15-17/h1-2,4-8,13,15H,3,9-12,14,16H2