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

Systemtic Name: ethyl 2-[[4-[(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C30H28FN3O4S3 MolecularWeight: 609.754423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4C(CCC5=C4C=CC(=C5)F)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4C(CCC5=C4C=CC(=C5)F)C

InChI

InChI=1S/C30H28FN3O4S3/c1-3-38-29(35)25-18-27(20-7-5-4-6-8-20)40-28(25)33-30(39)32-23-12-14-24(15-13-23)41(36,37)34-19(2)9-10-21-17-22(31)11-16-26(21)34/h4-8,11-19H,3,9-10H2,1-2H3,(H2,32,33,39)