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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CN(N=C3C(=O)N)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CN(N=C3C(=O)N)C

InChI

InChI=1S/C17H21N5O3S2/c1-8-4-5-9-11(6-8)27-15(12(9)16(24)25-3)20-17(26)19-10-7-22(2)21-13(10)14(18)23/h7-8H,4-6H2,1-3H3,(H2,18,23)(H2,19,20,26)