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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H26N4O4S2 MolecularWeight: 474.59624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S2/c1-13-16(21(29)30-4)18(32-17(13)20(28)25(2)3)24-22(31)23-15-9-7-14(8-10-15)19(27)26-11-5-6-12-26/h7-10H,5-6,11-12H2,1-4H3,(H2,23,24,31)