N-(phenylmethyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(phenylmethyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-benzyl-4-(3-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(phenylmethyl)-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-benzyl-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-benzyl-4-(3-thenyl)piperazin-4-ium-1-carbothioamide Formula: C17H22N3S2+ MolecularWeight: 332.50668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C17H21N3S2/c21-17(18-12-15-4-2-1-3-5-15)20-9-7-19(8-10-20)13-16-6-11-22-14-16/h1-6,11,14H,7-10,12-13H2,(H,18,21)/p+1