S-(triphenylmethyl) 1-(2-azanylpropanoyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioate

Systemtic Name: S-(triphenylmethyl) 1-(2-azanylpropanoyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioate Openeye Name: S-trityl 1-(2-aminopropanoyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioate CAS Name: 1-(2-amino-1-oxopropyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioic acid S-(triphenylmethyl) ester IUPAC Name: S-trityl 1-(2-aminopropanoyl)-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioate Traditional Name: 1-alanyl-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioic acid S-trityl ester Formula: C35H36N2O2S MolecularWeight: 548.73754

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C35H36N2O2S/c1-3-23-37-31(24-26-15-13-14-22-30(26)32(37)33(38)25(2)36)34(39)40-35(27-16-7-4-8-17-27,28-18-9-5-10-19-28)29-20-11-6-12-21-29/h4-22,25,31-32H,3,23-24,36H2,1-2H3