ethyl 2-[[4-(4-aminophenyl)sulfonylphenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(4-aminophenyl)sulfonylphenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(4-aminophenyl)sulfonylphenyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-(4-aminophenyl)sulfonylanilino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-aminophenyl)sulfonylphenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-sulfanilylphenyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H25N3O4S3 MolecularWeight: 515.668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N

InChI

InChI=1S/C24H25N3O4S3/c1-2-31-23(28)21-19-5-3-4-6-20(19)33-22(21)27-24(32)26-16-9-13-18(14-10-16)34(29,30)17-11-7-15(25)8-12-17/h7-14H,2-6,25H2,1H3,(H2,26,27,32)