3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-(3-methoxyphenyl)-N-propan-2-yl-pyrrolidine-1-carbothioamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-(3-methoxyphenyl)-N-propan-2-yl-pyrrolidine-1-carbothioamide Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-isopropyl-4-(3-methoxyphenyl)pyrrolidine-1-carbothioamide CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-(3-methoxyphenyl)-N-propan-2-yl-1-pyrrolidinecarbothioamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-(3-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carbothioamide Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-isopropyl-4-(3-methoxyphenyl)pyrrolidine-1-carbothioamide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CC(C(C1)C(=O)N2CCC3=CC=CC=C3C2)C4=CC(=CC=C4)OC

Isomeric SMILES

CC(C)NC(=S)N1CC(C(C1)C(=O)N2CCC3=CC=CC=C3C2)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H31N3O2S/c1-17(2)26-25(31)28-15-22(19-9-6-10-21(13-19)30-3)23(16-28)24(29)27-12-11-18-7-4-5-8-20(18)14-27/h4-10,13,17,22-23H,11-12,14-16H2,1-3H3,(H,26,31)