ethyl 2-[[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromo-2-isopentyloxy-benzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[[5-bromo-2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-bromo-2-(3-methylbutoxy)benzoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-bromo-2-isoamoxy-benzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H29BrN2O4S2 MolecularWeight: 553.53206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC(C)C

InChI

InChI=1S/C24H29BrN2O4S2/c1-4-30-23(29)20-16-7-5-6-8-19(16)33-22(20)27-24(32)26-21(28)17-13-15(25)9-10-18(17)31-12-11-14(2)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H2,26,27,28,32)