S-(triphenylmethyl) 1-(2-azanyl-3,3-dimethyl-butanoyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioate

Systemtic Name: S-(triphenylmethyl) 1-(2-azanyl-3,3-dimethyl-butanoyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioate Openeye Name: S-trityl 1-(2-amino-3,3-dimethyl-butanoyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioate CAS Name: 1-(2-amino-3,3-dimethyl-1-oxobutyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioic acid S-(triphenylmethyl) ester IUPAC Name: S-trityl 1-(2-amino-3,3-dimethylbutanoyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioate Traditional Name: 1-(2-amino-3,3-dimethyl-butanoyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioic acid S-trityl ester Formula: C38H42N2O2S MolecularWeight: 590.81728

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(CC2=CC=CC=C2C1C(=O)C(C(C)(C)C)N)C(=O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCN1C(CC2=CC=CC=C2C1C(=O)C(C(C)(C)C)N)C(=O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C38H42N2O2S/c1-5-25-40-32(26-27-17-15-16-24-31(27)33(40)34(41)35(39)37(2,3)4)36(42)43-38(28-18-9-6-10-19-28,29-20-11-7-12-21-29)30-22-13-8-14-23-30/h6-24,32-33,35H,5,25-26,39H2,1-4H3