N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-2-(3-thienylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(3-thiophenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-2-(3-thenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CC3=CSC=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)CC3=CSC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C24H25N3O2S/c25-23(28)21(12-17-6-2-1-3-7-17)26-24(29)22-13-19-8-4-5-9-20(19)15-27(22)14-18-10-11-30-16-18/h1-11,16,21-22H,12-15H2,(H2,25,28)(H,26,29)/t21-,22?/m0/s1