4-(diphenylmethyl)-N-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(diphenylmethyl)-N-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-(2-furylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-(2-furanylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-(2-furfuryl)piperazin-4-ium-1-carbothioamide Formula: C23H26N3OS+ MolecularWeight: 392.53704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NCC4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NCC4=CC=CO4

InChI

InChI=1S/C23H25N3OS/c28-23(24-18-21-12-7-17-27-21)26-15-13-25(14-16-26)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,17,22H,13-16,18H2,(H,24,28)/p+1