methyl 2-[(3-aminocarbonyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-aminocarbonyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(3-carbamoyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[(3-carbamoyl-1-methyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(3-carbamoyl-1-methyl-pyrazol-4-yl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H21N5O3S2 MolecularWeight: 407.51034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OC

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OC

InChI

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