N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,3-thiazol-2-yl]piperidine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,3-thiazol-2-yl]piperidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)thiazol-2-yl]piperidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-thiazolyl]-1-piperidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidine-1-carbothioamide Traditional Name: 4-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)thiazol-2-yl]-N-piperonyl-piperidine-1-carbothioamide Formula: C31H39N3O3S2 MolecularWeight: 565.78966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=N2)C3CCN(CC3)C(=S)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=N2)C3CCN(CC3)C(=S)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C31H39N3O3S2/c1-30(2,3)22-14-21(15-23(27(22)35)31(4,5)6)24-17-39-28(33-24)20-9-11-34(12-10-20)29(38)32-16-19-7-8-25-26(13-19)37-18-36-25/h7-8,13-15,17,20,35H,9-12,16,18H2,1-6H3,(H,32,38)