1-methylsulfonyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: 1-methylsulfonyl-N-[4-(4-methylthiazol-2-yl)sulfanylphenyl]-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: 1-methylsulfonyl-N-[4-[(4-methyl-2-thiazolyl)thio]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: 1-methylsulfonyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: 1-mesyl-N-[4-[(4-methylthiazol-2-yl)thio]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C21H21N3O3S3 MolecularWeight: 459.60474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

Isomeric SMILES

CC1=CSC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

InChI

InChI=1S/C21H21N3O3S3/c1-14-13-28-21(22-14)29-18-8-6-17(7-9-18)23-20(25)16-5-10-19-15(12-16)4-3-11-24(19)30(2,26)27/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,25)