4-(1,3-benzothiazol-2-yl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carbothioamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-(1,1,3,3-tetramethylbutyl)piperidine-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-(2,4,4-trimethylpentan-2-yl)-1-piperidinecarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-(1,1,3,3-tetramethylbutyl)piperidine-1-carbothioamide Formula: C21H31N3S2 MolecularWeight: 389.62094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=S)N1CCC(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=S)N1CCC(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H31N3S2/c1-20(2,3)14-21(4,5)23-19(25)24-12-10-15(11-13-24)18-22-16-8-6-7-9-17(16)26-18/h6-9,15H,10-14H2,1-5H3,(H,23,25)