ethyl 2-[(3-aminocarbonyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-aminocarbonyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-carbamoyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(3-carbamoyl-1-methyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-carbamoyl-1-methyl-pyrazol-4-yl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H21N5O3S2 MolecularWeight: 407.51034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CN(N=C3C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CN(N=C3C(=O)N)C

InChI

InChI=1S/C17H21N5O3S2/c1-3-25-16(24)12-9-6-4-5-7-11(9)27-15(12)20-17(26)19-10-8-22(2)21-13(10)14(18)23/h8H,3-7H2,1-2H3,(H2,18,23)(H2,19,20,26)