methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[(4-pyrrolidinosulfonylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H26N4O5S3 MolecularWeight: 510.64994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)N(C)C

InChI

InChI=1S/C21H26N4O5S3/c1-13-16(20(27)30-4)18(32-17(13)19(26)24(2)3)23-21(31)22-14-7-9-15(10-8-14)33(28,29)25-11-5-6-12-25/h7-10H,5-6,11-12H2,1-4H3,(H2,22,23,31)