3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]propanamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]propanamide Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]propanamide CAS Name: 3-[(2-amino-2-oxoethyl)thio]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]propanamide IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]propanamide Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]propionamide Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)CCSCC(=O)N)N1CCC2=CC=CC=C2C1

Isomeric SMILES

CC(C)(CNC(=O)CCSCC(=O)N)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C18H27N3O2S/c1-18(2,13-20-17(23)8-10-24-12-16(19)22)21-9-7-14-5-3-4-6-15(14)11-21/h3-6H,7-13H2,1-2H3,(H2,19,22)(H,20,23)