4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-chloranyl-4-methyl-phenyl)piperidine-1-carbothioamide

Systemtic Name: 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-chloranyl-4-methyl-phenyl)piperidine-1-carbothioamide Openeye Name: 4-(4-tert-butylthiazol-2-yl)-N-(2-chloro-4-methyl-phenyl)piperidine-1-carbothioamide CAS Name: 4-(4-tert-butyl-2-thiazolyl)-N-(2-chloro-4-methylphenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-chloro-4-methylphenyl)piperidine-1-carbothioamide Traditional Name: 4-(4-tert-butylthiazol-2-yl)-N-(2-chloro-4-methyl-phenyl)piperidine-1-carbothioamide Formula: C20H26ClN3S2 MolecularWeight: 408.02354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)C3=NC(=CS3)C(C)(C)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N2CCC(CC2)C3=NC(=CS3)C(C)(C)C)Cl

InChI

InChI=1S/C20H26ClN3S2/c1-13-5-6-16(15(21)11-13)22-19(25)24-9-7-14(8-10-24)18-23-17(12-26-18)20(2,3)4/h5-6,11-12,14H,7-10H2,1-4H3,(H,22,25)