N-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-7-oxidanylidene-5,6-dihydro-4H-1,3-benzothiazol-2-yl]propanamide

Systemtic Name: N-[(5S)-5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-7-oxidanylidene-5,6-dihydro-4H-1,3-benzothiazol-2-yl]propanamide Openeye Name: N-[(5S)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]propanamide CAS Name: N-[(5S)-5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]propanamide IUPAC Name: N-[(5S)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]propanamide Traditional Name: N-[(5S)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-7-keto-5,6-dihydro-4H-1,3-benzothiazol-2-yl]propionamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC2=C(S1)C(=O)CC(C2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC(=O)NC1=NC2=C(S1)C(=O)C[C@H](C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H21N3O3S/c1-2-17(25)22-20-21-15-9-14(10-16(24)18(15)27-20)19(26)23-8-7-12-5-3-4-6-13(12)11-23/h3-6,14H,2,7-11H2,1H3,(H,21,22,25)/t14-/m0/s1