N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-[(3S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-[(3S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide Traditional Name: 3-[(3S)-2-keto-3,4-dihydro-1H-quinolin-3-yl]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3CC4=CC=CC=C4NC3=O

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC[C@H]3CC4=CC=CC=C4NC3=O

InChI

InChI=1S/C20H19N3O2S2/c1-26-20-23-16-8-7-14(11-17(16)27-20)21-18(24)9-6-13-10-12-4-2-3-5-15(12)22-19(13)25/h2-5,7-8,11,13H,6,9-10H2,1H3,(H,21,24)(H,22,25)/t13-/m0/s1