2-(2,2-diphenylethanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-(2,2-diphenylethanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(2,2-diphenylacetyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(2,2-diphenylacetyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(2,2-diphenylacetyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C24H23N3O2S2 MolecularWeight: 449.58832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C24H23N3O2S2/c25-21(28)20-17-13-7-8-14-18(17)31-23(20)27-24(30)26-22(29)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,19H,7-8,13-14H2,(H2,25,28)(H2,26,27,29,30)