2-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Systemtic Name: 2-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: 2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: 2-[[[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: 2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: 2-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)N

InChI

InChI=1S/C21H25N3O3S2/c1-21(2,3)12-7-9-13(10-8-12)27-11-16(25)23-20(28)24-19-17(18(22)26)14-5-4-6-15(14)29-19/h7-10H,4-6,11H2,1-3H3,(H2,22,26)(H2,23,24,25,28)