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

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3-methylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(m-tolyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3-methylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3-methylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(m-tolyl)piperazin-4-ium-1-carbothioamide Formula: C20H23N4S2+ MolecularWeight: 383.55342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N4S2/c1-15-5-4-6-16(13-15)21-20(25)24-11-9-23(10-12-24)14-19-22-17-7-2-3-8-18(17)26-19/h2-8,13H,9-12,14H2,1H3,(H,21,25)/p+1