methyl 2-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H23N3O3S2/c1-27-20(26)17-15-5-4-6-16(15)29-18(17)23-21(28)22-14-9-7-13(8-10-14)19(25)24-11-2-3-12-24/h7-10H,2-6,11-12H2,1H3,(H2,22,23,28)