N-[2-[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide

Systemtic Name: N-[2-[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide Openeye Name: N-[2-[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide CAS Name: N-[2-[(2S)-2-acetamido-4-(methylthio)-1-oxobutyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-pyridinecarboxamide IUPAC Name: N-[2-[(2S)-2-acetamido-4-methylsulfanylbutanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide Traditional Name: N-[2-[(2S)-2-acetamido-4-(methylthio)butanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]picolinamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=N3

Isomeric SMILES

CC(=O)N[C@@H](CCSC)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=N3

InChI

InChI=1S/C22H26N4O3S/c1-15(27)24-20(9-12-30-2)22(29)26-11-8-16-6-7-18(13-17(16)14-26)25-21(28)19-5-3-4-10-23-19/h3-7,10,13,20H,8-9,11-12,14H2,1-2H3,(H,24,27)(H,25,28)/t20-/m0/s1