ethyl 2-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-tert-butylbenzoyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C24H30N2O3S2 MolecularWeight: 458.6366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O3S2/c1-5-29-22(28)19-17-9-7-6-8-10-18(17)31-21(19)26-23(30)25-20(27)15-11-13-16(14-12-15)24(2,3)4/h11-14H,5-10H2,1-4H3,(H2,25,26,27,30)