methyl 2-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H25N3O3S2/c1-28-21(27)18-16-6-2-3-7-17(16)30-19(18)24-22(29)23-15-10-8-14(9-11-15)20(26)25-12-4-5-13-25/h8-11H,2-7,12-13H2,1H3,(H2,23,24,29)