4-(1,3-benzothiazol-2-ylmethyl)-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3-methoxyphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide Formula: C20H23N4OS2+ MolecularWeight: 399.55282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N4OS2/c1-25-16-6-4-5-15(13-16)21-20(26)24-11-9-23(10-12-24)14-19-22-17-7-2-3-8-18(17)27-19/h2-8,13H,9-12,14H2,1H3,(H,21,26)/p+1