ethyl 2-[(5-aminocarbonyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-aminocarbonyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-carbamoyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[[(5-carbamoyl-1-ethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-carbamoyl-1-ethylpyrazol-4-yl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-[(5-carbamoyl-1-ethyl-pyrazol-4-yl)thiocarbamoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester Formula: C20H27N5O3S2 MolecularWeight: 449.59008

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OCC)C(=O)N

Isomeric SMILES

CCN1C(=C(C=N1)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OCC)C(=O)N

InChI

InChI=1S/C20H27N5O3S2/c1-3-25-16(17(21)26)13(11-22-25)23-20(29)24-18-15(19(27)28-4-2)12-9-7-5-6-8-10-14(12)30-18/h11H,3-10H2,1-2H3,(H2,21,26)(H2,23,24,29)