S-(triphenylmethyl) 1-(2-azanyl-3-methyl-butanoyl)-4-propyl-isoquinoline-3-carbothioate

Systemtic Name: S-(triphenylmethyl) 1-(2-azanyl-3-methyl-butanoyl)-4-propyl-isoquinoline-3-carbothioate Openeye Name: S-trityl 1-(2-amino-3-methyl-butanoyl)-4-propyl-isoquinoline-3-carbothioate CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-4-propyl-3-isoquinolinecarbothioic acid S-(triphenylmethyl) ester IUPAC Name: S-trityl 1-(2-amino-3-methylbutanoyl)-4-propylisoquinoline-3-carbothioate Traditional Name: 1-(2-amino-3-methyl-butanoyl)-4-propyl-isoquinoline-3-carbothioic acid S-trityl ester Formula: C37H36N2O2S MolecularWeight: 572.75894

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(C2=CC=CC=C21)C(=O)C(C(C)C)N)C(=O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCC1=C(N=C(C2=CC=CC=C21)C(=O)C(C(C)C)N)C(=O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C37H36N2O2S/c1-4-16-30-29-23-14-15-24-31(29)33(35(40)32(38)25(2)3)39-34(30)36(41)42-37(26-17-8-5-9-18-26,27-19-10-6-11-20-27)28-21-12-7-13-22-28/h5-15,17-25,32H,4,16,38H2,1-3H3