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

Systemtic Name: ethyl 2-[(5-bromanylpyridin-2-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromo-2-pyridyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromopyridin-2-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(5-bromo-2-pyridyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C18H20BrN3O2S2 MolecularWeight: 454.4043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=NC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C18H20BrN3O2S2/c1-2-24-17(23)15-12-6-4-3-5-7-13(12)26-16(15)22-18(25)21-14-9-8-11(19)10-20-14/h8-10H,2-7H2,1H3,(H2,20,21,22,25)