N-[1-(3-methanoyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-3-sulfanyl-propanamide

Systemtic Name: N-[1-(3-methanoyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-3-sulfanyl-propanamide Openeye Name: N-[1-(3-formyl-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-2-methyl-propyl]-3-sulfanyl-propanamide CAS Name: N-[1-(3-formyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-mercaptopropanamide IUPAC Name: N-[1-(3-formyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-sulfanylpropanamide Traditional Name: N-[1-(3-formyl-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-2-methyl-propyl]-3-mercapto-propionamide Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1)C=O)NC(=O)CCS

Isomeric SMILES

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1)C=O)NC(=O)CCS

InChI

InChI=1S/C18H24N2O3S/c1-11(2)16(20-15(22)7-8-24)18(23)17-14-6-4-3-5-12(14)9-13(10-21)19-17/h3-6,10-11,13,16-17,19,24H,7-9H2,1-2H3,(H,20,22)