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

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

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C25H25N3O3S2/c1-31-24(30)21-16-20(15-17-7-3-2-4-8-17)33-22(21)27-25(32)26-19-11-9-18(10-12-19)23(29)28-13-5-6-14-28/h2-4,7-12,16H,5-6,13-15H2,1H3,(H2,26,27,32)