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

Systemtic Name: methyl 4,5-dimethyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S2/c1-12-13(2)28-17(16(12)19(25)26-3)22-20(27)21-15-8-6-14(7-9-15)18(24)23-10-4-5-11-23/h6-9H,4-5,10-11H2,1-3H3,(H2,21,22,27)