(2-nitrophenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione hydrochloride

Systemtic Name: (2-nitrophenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione hydrochloride Openeye Name: (4-benzylpiperazin-1-yl)-(2-nitrophenyl)methanethione hydrochloride CAS Name: (2-nitrophenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione hydrochloride IUPAC Name: (4-benzylpiperazin-1-yl)-(2-nitrophenyl)methanethione hydrochloride Traditional Name: (4-benzylpiperazino)-(2-nitrophenyl)methanethione hydrochloride Formula: C18H20ClN3O2S MolecularWeight: 377.8883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC=CC=C3[N+](=O)[O-].Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC=CC=C3[N+](=O)[O-].Cl

InChI

InChI=1S/C18H19N3O2S.ClH/c22-21(23)17-9-5-4-8-16(17)18(24)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15;/h1-9H,10-14H2;1H