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

Systemtic Name: methyl 5-methyl-4-phenyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCC3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCC3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O3S2/c1-16-20(17-8-4-3-5-9-17)21(24(30)31-2)22(33-16)27-25(32)26-19-12-10-18(11-13-19)23(29)28-14-6-7-15-28/h3-5,8-13H,6-7,14-15H2,1-2H3,(H2,26,27,32)