4-(diphenylmethyl)-N-pyridin-3-yl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(diphenylmethyl)-N-pyridin-3-yl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-(3-pyridyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-(3-pyridinyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-pyridin-3-ylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-(3-pyridyl)piperazin-4-ium-1-carbothioamide Formula: C23H25N4S+ MolecularWeight: 389.5364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=CN=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=CN=CC=C4

InChI

InChI=1S/C23H24N4S/c28-23(25-21-12-7-13-24-18-21)27-16-14-26(15-17-27)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,22H,14-17H2,(H,25,28)/p+1