S-(triphenylmethyl) 1-[3-methyl-2-(methylamino)butanoyl]-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioate

Systemtic Name: S-(triphenylmethyl) 1-[3-methyl-2-(methylamino)butanoyl]-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioate Openeye Name: S-trityl 1-[3-methyl-2-(methylamino)butanoyl]-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioate CAS Name: 1-[3-methyl-2-(methylamino)-1-oxobutyl]-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioic acid S-(triphenylmethyl) ester IUPAC Name: S-trityl 1-[3-methyl-2-(methylamino)butanoyl]-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioate Traditional Name: 1-[3-methyl-2-(methylamino)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)NC)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)NC)C(=O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

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