5,7-bis(chloranyl)-1-(phenylazanylsulfanylcarbonylamino)-3,4-dihydro-2H-quinoline-2-carboxylic acid

Systemtic Name: 5,7-bis(chloranyl)-1-(phenylazanylsulfanylcarbonylamino)-3,4-dihydro-2H-quinoline-2-carboxylic acid Openeye Name: 1-(anilinosulfanylcarbonylamino)-5,7-dichloro-3,4-dihydro-2H-quinoline-2-carboxylic acid CAS Name: 1-[[(anilinothio)-oxomethyl]amino]-5,7-dichloro-3,4-dihydro-2H-quinoline-2-carboxylic acid IUPAC Name: 1-(anilinosulfanylcarbonylamino)-5,7-dichloro-3,4-dihydro-2H-quinoline-2-carboxylic acid Traditional Name: 1-[(anilinothio)carbonylamino]-5,7-dichloro-3,4-dihydro-2H-quinoline-2-carboxylic acid Formula: C17H15Cl2N3O3S MolecularWeight: 412.2903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2N(C1C(=O)O)NC(=O)SNC3=CC=CC=C3)Cl)Cl

Isomeric SMILES

C1CC2=C(C=C(C=C2N(C1C(=O)O)NC(=O)SNC3=CC=CC=C3)Cl)Cl

InChI

InChI=1S/C17H15Cl2N3O3S/c18-10-8-13(19)12-6-7-14(16(23)24)22(15(12)9-10)20-17(25)26-21-11-4-2-1-3-5-11/h1-5,8-9,14,21H,6-7H2,(H,20,25)(H,23,24)