4-(diphenylmethyl)-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(diphenylmethyl)-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-(3-methoxyphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide Formula: C25H28N3OS+ MolecularWeight: 418.57432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3OS/c1-29-23-14-8-13-22(19-23)26-25(30)28-17-15-27(16-18-28)24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,19,24H,15-18H2,1H3,(H,26,30)/p+1