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

Systemtic Name: methyl 2-[(4-methylpyridin-2-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-methyl-2-pyridyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[(4-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methylpyridin-2-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-methyl-2-pyridyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S2/c1-11-8-9-19-14(10-11)20-18(24)21-16-15(17(22)23-2)12-6-4-3-5-7-13(12)25-16/h8-10H,3-7H2,1-2H3,(H2,19,20,21,24)