2-(3-chloranyl-4-oxidanyl-phenyl)-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(3-chloranyl-4-oxidanyl-phenyl)-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(3-chloro-4-hydroxy-phenyl)-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(3-chloro-4-hydroxyphenyl)-1-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(3-chloro-4-hydroxyphenyl)-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(3-chloro-4-hydroxy-phenyl)-1-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C17H20ClN3O2S MolecularWeight: 365.8776

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC(=C(C=C2)O)Cl)CC3=NC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC(=C(C=C2)O)Cl)CC3=NC=CS3

InChI

InChI=1S/C17H20ClN3O2S/c18-14-10-13(2-3-15(14)22)11-17(23)21-6-1-5-20(7-8-21)12-16-19-4-9-24-16/h2-4,9-10,22H,1,5-8,11-12H2