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

Systemtic Name: methyl 2-[(4-methylpyrimidin-2-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-methylpyrimidin-2-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[(4-methyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methylpyrimidin-2-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-methylpyrimidin-2-yl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H20N4O2S2 MolecularWeight: 376.4963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OC

Isomeric SMILES

CC1=NC(=NC=C1)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OC

InChI

InChI=1S/C17H20N4O2S2/c1-10-8-9-18-16(19-10)21-17(24)20-14-13(15(22)23-2)11-6-4-3-5-7-12(11)25-14/h8-9H,3-7H2,1-2H3,(H2,18,19,20,21,24)