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

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(2,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C21H24N4S2 MolecularWeight: 396.57206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

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