N-(3-chlorophenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-chlorophenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carbothioamide Openeye Name: N-(3-chlorophenyl)-4-(4-pyridylmethyl)piperazine-1-carbothioamide CAS Name: N-(3-chlorophenyl)-4-(pyridin-4-ylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-chlorophenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carbothioamide Traditional Name: N-(3-chlorophenyl)-4-(4-pyridylmethyl)piperazine-1-carbothioamide Formula: C17H19ClN4S MolecularWeight: 346.87756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H19ClN4S/c18-15-2-1-3-16(12-15)20-17(23)22-10-8-21(9-11-22)13-14-4-6-19-7-5-14/h1-7,12H,8-11,13H2,(H,20,23)