4-(1,3-benzothiazol-2-ylmethyl)-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3,5-dimethylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide Formula: C21H25N4S2+ MolecularWeight: 397.58

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4S2/c1-15-11-16(2)13-17(12-15)22-21(26)25-9-7-24(8-10-25)14-20-23-18-5-3-4-6-19(18)27-20/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,26)/p+1