N-[(4-chlorophenyl)methyl]-1-methyl-4-oxidanylidene-6-(1,4-thiazepan-4-ylmethyl)quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-4-oxidanylidene-6-(1,4-thiazepan-4-ylmethyl)quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-6-(1,4-thiazepan-4-ylmethyl)quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-6-(1,4-thiazepan-4-ylmethyl)-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-6-(1,4-thiazepan-4-ylmethyl)quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-keto-1-methyl-6-(1,4-thiazepan-4-ylmethyl)quinoline-3-carboxamide Formula: C24H26ClN3O2S MolecularWeight: 456.00014

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)CN3CCCSCC3)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)CN3CCCSCC3)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H26ClN3O2S/c1-27-16-21(24(30)26-14-17-3-6-19(25)7-4-17)23(29)20-13-18(5-8-22(20)27)15-28-9-2-11-31-12-10-28/h3-8,13,16H,2,9-12,14-15H2,1H3,(H,26,30)