N-(2-phenylsulfanylethyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-phenylsulfanylethyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-phenylsulfanylethyl)-4-(3-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[2-(phenylthio)ethyl]-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-phenylsulfanylethyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-[2-(phenylthio)ethyl]-4-(3-thenyl)piperazin-4-ium-1-carbothioamide Formula: C18H24N3S3+ MolecularWeight: 378.59826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=S)NCCSC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=S)NCCSC3=CC=CC=C3

InChI

InChI=1S/C18H23N3S3/c22-18(19-7-13-24-17-4-2-1-3-5-17)21-10-8-20(9-11-21)14-16-6-12-23-15-16/h1-6,12,15H,7-11,13-14H2,(H,19,22)/p+1