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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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