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

Systemtic Name: 2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-[(8-chloro-1-naphthyl)sulfanyl]-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]-1-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(8-chloronaphthalen-1-yl)sulfanyl-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(8-chloro-1-naphthyl)thio]-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C21H22ClN3OS2 MolecularWeight: 432.00188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)CC4=NC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl)CC4=NC=CS4

InChI

InChI=1S/C21H22ClN3OS2/c22-17-6-1-4-16-5-2-7-18(21(16)17)28-15-20(26)25-10-3-9-24(11-12-25)14-19-23-8-13-27-19/h1-2,4-8,13H,3,9-12,14-15H2