(3R)-N-tert-butyl-2-(tert-butylcarbamothioyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-tert-butyl-2-(tert-butylcarbamothioyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-tert-butyl-2-(tert-butylcarbamothioyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-tert-butyl-2-[(tert-butylamino)-sulfanylidenemethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-tert-butyl-2-(tert-butylcarbamothioyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-tert-butyl-2-(tert-butylthiocarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H29N3OS MolecularWeight: 347.51806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1C(=S)NC(C)(C)C

Isomeric SMILES

CC(C)(C)NC(=O)[C@H]1CC2=CC=CC=C2CN1C(=S)NC(C)(C)C

InChI

InChI=1S/C19H29N3OS/c1-18(2,3)20-16(23)15-11-13-9-7-8-10-14(13)12-22(15)17(24)21-19(4,5)6/h7-10,15H,11-12H2,1-6H3,(H,20,23)(H,21,24)/t15-/m1/s1