propyl (6S)-6-methyl-2-[(2-methylpyrazol-3-yl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propyl (6S)-6-methyl-2-[(2-methylpyrazol-3-yl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl (6S)-6-methyl-2-[(2-methylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-2-[[[[(2-methyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl (6S)-6-methyl-2-[(2-methylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-methyl-2-[(2-methylpyrazole-3-carbonyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C19H24N4O3S2 MolecularWeight: 420.54886

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC=NN3C

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CC[C@@H](C2)C)NC(=S)NC(=O)C3=CC=NN3C

InChI

InChI=1S/C19H24N4O3S2/c1-4-9-26-18(25)15-12-6-5-11(2)10-14(12)28-17(15)22-19(27)21-16(24)13-7-8-20-23(13)3/h7-8,11H,4-6,9-10H2,1-3H3,(H2,21,22,24,27)/t11-/m0/s1