7-[(4Z)-4-(carbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(4Z)-4-(carbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(4Z)-4-(carbamothioylhydrazono)-6,7-dihydro-5H-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(4Z)-4-(carbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(4Z)-4-(carbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-8-methoxy-7-[(4Z)-4-(thiocarbamoylhydrazono)-6,7-dihydro-5H-benzothiophen-2-yl]quinoline-3-carboxylic acid Formula: C23H22N4O4S2 MolecularWeight: 482.57518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)CCCC5=NNC(=S)N

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC\5=C(S4)CCC/C5=N/NC(=S)N

InChI

InChI=1S/C23H22N4O4S2/c1-31-21-12(18-9-14-16(25-26-23(24)32)3-2-4-17(14)33-18)7-8-13-19(21)27(11-5-6-11)10-15(20(13)28)22(29)30/h7-11H,2-6H2,1H3,(H,29,30)(H3,24,26,32)/b25-16-