2-[(3,5-diethoxyphenyl)carbonylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-[(3,5-diethoxyphenyl)carbonylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(3,5-diethoxybenzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[[[(3,5-diethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[(3,5-diethoxybenzoyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[(3,5-diethoxybenzoyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)N)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)N)OCC

InChI

InChI=1S/C22H27N3O4S2/c1-3-28-14-10-13(11-15(12-14)29-4-2)20(27)24-22(30)25-21-18(19(23)26)16-8-6-5-7-9-17(16)31-21/h10-12H,3-9H2,1-2H3,(H2,23,26)(H2,24,25,27,30)