[4-(3-chlorophenyl)piperazin-1-yl]-(4-nitrophenyl)methanethione

Systemtic Name: [4-(3-chlorophenyl)piperazin-1-yl]-(4-nitrophenyl)methanethione Openeye Name: [4-(3-chlorophenyl)piperazin-1-yl]-(4-nitrophenyl)methanethione CAS Name: [4-(3-chlorophenyl)-1-piperazinyl]-(4-nitrophenyl)methanethione IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-(4-nitrophenyl)methanethione Traditional Name: [4-(3-chlorophenyl)piperazino]-(4-nitrophenyl)methanethione Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O2S/c18-14-2-1-3-16(12-14)19-8-10-20(11-9-19)17(24)13-4-6-15(7-5-13)21(22)23/h1-7,12H,8-11H2