(4S)-N-(6-butyl-1,3-benzothiazol-2-yl)-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxamide

Systemtic Name: (4S)-N-(6-butyl-1,3-benzothiazol-2-yl)-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxamide Openeye Name: (4S)-N-(6-butyl-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide CAS Name: (4S)-N-(6-butyl-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide IUPAC Name: (4S)-N-(6-butyl-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide Traditional Name: (4S)-N-(6-butyl-1,3-benzothiazol-2-yl)-2-keto-3,4-dihydro-1H-quinoline-4-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC(=O)NC4=CC=CC=C34

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H]3CC(=O)NC4=CC=CC=C34

InChI

InChI=1S/C21H21N3O2S/c1-2-3-6-13-9-10-17-18(11-13)27-21(23-17)24-20(26)15-12-19(25)22-16-8-5-4-7-14(15)16/h4-5,7-11,15H,2-3,6,12H2,1H3,(H,22,25)(H,23,24,26)/t15-/m0/s1