methyl 5-ethyl-2-[[4-[(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[[4-[(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C25H26FN3O4S3 MolecularWeight: 547.685043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3C(CCC4=C3C=CC(=C4)F)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3C(CCC4=C3C=CC(=C4)F)C)C(=O)OC

InChI

InChI=1S/C25H26FN3O4S3/c1-4-19-14-21(24(30)33-3)23(35-19)28-25(34)27-18-8-10-20(11-9-18)36(31,32)29-15(2)5-6-16-13-17(26)7-12-22(16)29/h7-15H,4-6H2,1-3H3,(H2,27,28,34)