ethyl 2-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(5-tert-butyl-2-methoxyanilino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-tert-butyl-2-methoxyphenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(5-tert-butyl-2-methoxy-phenyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C24H32N2O3S2 MolecularWeight: 460.65248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O3S2/c1-6-29-22(27)20-16-10-8-7-9-11-19(16)31-21(20)26-23(30)25-17-14-15(24(2,3)4)12-13-18(17)28-5/h12-14H,6-11H2,1-5H3,(H2,25,26,30)