6,7-dimethoxy-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: 6,7-dimethoxy-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 6,7-dimethoxy-N-[(1S)-3-methylsulfanyl-1-(phenylcarbamoyl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(2S)-1-anilino-4-(methylthio)-1-oxobutan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2S)-1-anilino-4-methylsulfanyl-1-oxobutan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: 6,7-dimethoxy-N-[(1S)-3-(methylthio)-1-(phenylcarbamoyl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)NC(CCSC)C(=O)NC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)N[C@@H](CCSC)C(=O)NC3=CC=CC=C3)OC

InChI

InChI=1S/C23H29N3O4S/c1-29-20-13-16-9-11-26(15-17(16)14-21(20)30-2)23(28)25-19(10-12-31-3)22(27)24-18-7-5-4-6-8-18/h4-8,13-14,19H,9-12,15H2,1-3H3,(H,24,27)(H,25,28)/t19-/m0/s1