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

Systemtic Name: S-(triphenylmethyl) 2-propyl-1-pyrrolidin-2-ylcarbonyl-3,4-dihydro-1H-isoquinoline-3-carbothioate Openeye Name: S-trityl 2-propyl-1-(pyrrolidine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbothioate CAS Name: 1-[oxo(2-pyrrolidinyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioic acid S-(triphenylmethyl) ester IUPAC Name: S-trityl 2-propyl-1-(pyrrolidine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbothioate Traditional Name: 1-prolyl-2-propyl-3,4-dihydro-1H-isoquinoline-3-carbothioic acid S-trityl ester Formula: C37H38N2O2S MolecularWeight: 574.77482

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(CC2=CC=CC=C2C1C(=O)C3CCCN3)C(=O)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCN1C(CC2=CC=CC=C2C1C(=O)C3CCCN3)C(=O)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C37H38N2O2S/c1-2-25-39-33(26-27-15-12-13-22-31(27)34(39)35(40)32-23-14-24-38-32)36(41)42-37(28-16-6-3-7-17-28,29-18-8-4-9-19-29)30-20-10-5-11-21-30/h3-13,15-22,32-34,38H,2,14,23-26H2,1H3