4-(4-chlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]piperazine-1-carbothioamide

Systemtic Name: 4-(4-chlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]piperazine-1-carbothioamide Openeye Name: 4-(4-chlorophenyl)-N-[(E)-1-(2-pyridyl)ethylideneamino]piperazine-1-carbothioamide CAS Name: 4-(4-chlorophenyl)-N-[(E)-1-(2-pyridinyl)ethylideneamino]-1-piperazinecarbothioamide IUPAC Name: 4-(4-chlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]piperazine-1-carbothioamide Traditional Name: 4-(4-chlorophenyl)-N-[(E)-1-(2-pyridyl)ethylideneamino]piperazine-1-carbothioamide Formula: C18H20ClN5S MolecularWeight: 373.9029

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CCN(CC1)C2=CC=C(C=C2)Cl)C3=CC=CC=N3

Isomeric SMILES

C/C(=N\NC(=S)N1CCN(CC1)C2=CC=C(C=C2)Cl)/C3=CC=CC=N3

InChI

InChI=1S/C18H20ClN5S/c1-14(17-4-2-3-9-20-17)21-22-18(25)24-12-10-23(11-13-24)16-7-5-15(19)6-8-16/h2-9H,10-13H2,1H3,(H,22,25)/b21-14+