N-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: N-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C25H21N3O2S2 MolecularWeight: 459.58314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O2S2/c29-23(28-14-6-10-17-7-4-5-11-21(17)28)16-31-25-27-20-13-12-19(15-22(20)32-25)26-24(30)18-8-2-1-3-9-18/h1-5,7-9,11-13,15H,6,10,14,16H2,(H,26,30)