6-chloranyl-N-[3-(1,3-dithian-2-yl)phenyl]-2-methyl-quinoline-3-carboxamide

Systemtic Name: 6-chloranyl-N-[3-(1,3-dithian-2-yl)phenyl]-2-methyl-quinoline-3-carboxamide Openeye Name: 6-chloro-N-[3-(1,3-dithian-2-yl)phenyl]-2-methyl-quinoline-3-carboxamide CAS Name: 6-chloro-N-[3-(1,3-dithian-2-yl)phenyl]-2-methyl-3-quinolinecarboxamide IUPAC Name: 6-chloro-N-[3-(1,3-dithian-2-yl)phenyl]-2-methylquinoline-3-carboxamide Traditional Name: 6-chloro-N-[3-(1,3-dithian-2-yl)phenyl]-2-methyl-quinoline-3-carboxamide Formula: C21H19ClN2OS2 MolecularWeight: 414.97136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)NC3=CC=CC(=C3)C4SCCCS4

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)NC3=CC=CC(=C3)C4SCCCS4

InChI

InChI=1S/C21H19ClN2OS2/c1-13-18(12-15-10-16(22)6-7-19(15)23-13)20(25)24-17-5-2-4-14(11-17)21-26-8-3-9-27-21/h2,4-7,10-12,21H,3,8-9H2,1H3,(H,24,25)