4-(5-cyanopyridin-2-yl)-N-(diphenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(5-cyanopyridin-2-yl)-N-(diphenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzhydryl-4-(5-cyano-2-pyridyl)piperazine-1-carbothioamide CAS Name: 4-(5-cyano-2-pyridinyl)-N-(diphenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzhydryl-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide Traditional Name: N-benzhydryl-4-(5-cyano-2-pyridyl)piperazine-1-carbothioamide Formula: C24H23N5S MolecularWeight: 413.53792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)C(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)C(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H23N5S/c25-17-19-11-12-22(26-18-19)28-13-15-29(16-14-28)24(30)27-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,18,23H,13-16H2,(H,27,30)