ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-morpholinosulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H29N3O7S3 MolecularWeight: 603.73006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C27H29N3O7S3/c1-3-35-26(31)24-21(14-18-4-9-22-23(15-18)37-16-36-22)17(2)39-25(24)29-27(38)28-19-5-7-20(8-6-19)40(32,33)30-10-12-34-13-11-30/h4-9,15H,3,10-14,16H2,1-2H3,(H2,28,29,38)