methyl 2-[(4-chloranyl-2-methyl-pyrazol-3-yl)carbonylcarbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-chloranyl-2-methyl-pyrazol-3-yl)carbonylcarbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-2-methyl-pyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[[[(4-chloro-2-methyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-2-methylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-chloro-2-methyl-pyrazole-3-carbonyl)thiocarbamoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester Formula: C18H21ClN4O3S2 MolecularWeight: 440.96734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Cl)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC

Isomeric SMILES

CN1C(=C(C=N1)Cl)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC

InChI

InChI=1S/C18H21ClN4O3S2/c1-23-14(11(19)9-20-23)15(24)21-18(27)22-16-13(17(25)26-2)10-7-5-3-4-6-8-12(10)28-16/h9H,3-8H2,1-2H3,(H2,21,22,24,27)