(2-azanyl-3-phenylsulfanyl-phenyl)-[4-(2-chloroethyl)piperazin-1-yl]methanone hydrochloride

Systemtic Name: (2-azanyl-3-phenylsulfanyl-phenyl)-[4-(2-chloroethyl)piperazin-1-yl]methanone hydrochloride Openeye Name: (2-amino-3-phenylsulfanyl-phenyl)-[4-(2-chloroethyl)piperazin-1-yl]methanone hydrochloride CAS Name: [2-amino-3-(phenylthio)phenyl]-[4-(2-chloroethyl)-1-piperazinyl]methanone hydrochloride IUPAC Name: (2-amino-3-phenylsulfanylphenyl)-[4-(2-chloroethyl)piperazin-1-yl]methanone hydrochloride Traditional Name: [2-amino-3-(phenylthio)phenyl]-[4-(2-chloroethyl)piperazino]methanone hydrochloride Formula: C19H23Cl2N3OS MolecularWeight: 412.37642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCl)C(=O)C2=C(C(=CC=C2)SC3=CC=CC=C3)N.Cl

Isomeric SMILES

C1CN(CCN1CCCl)C(=O)C2=C(C(=CC=C2)SC3=CC=CC=C3)N.Cl

InChI

InChI=1S/C19H22ClN3OS.ClH/c20-9-10-22-11-13-23(14-12-22)19(24)16-7-4-8-17(18(16)21)25-15-5-2-1-3-6-15;/h1-8H,9-14,21H2;1H