methyl 2-[(1-ethylpyrazol-4-yl)carbonylcarbamothioylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1-ethylpyrazol-4-yl)carbonylcarbamothioylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate CAS Name: 2-[[[[(1-ethyl-4-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate Traditional Name: 2-[(1-ethylpyrazole-4-carbonyl)thiocarbamoylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylic acid methyl ester Formula: C23H32N4O3S2 MolecularWeight: 476.65518

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCCCCCCC3)C(=O)OC

Isomeric SMILES

CCN1C=C(C=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCCCCCCC3)C(=O)OC

InChI

InChI=1S/C23H32N4O3S2/c1-3-27-15-16(14-24-27)20(28)25-23(31)26-21-19(22(29)30-2)17-12-10-8-6-4-5-7-9-11-13-18(17)32-21/h14-15H,3-13H2,1-2H3,(H2,25,26,28,31)