methyl 2-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C23H27N3O3S2/c1-29-22(28)19-17-7-3-2-4-8-18(17)31-20(19)25-23(30)24-16-11-9-15(10-12-16)21(27)26-13-5-6-14-26/h9-12H,2-8,13-14H2,1H3,(H2,24,25,30)