2-[(3-bromanyl-4-hexoxy-phenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(3-bromanyl-4-hexoxy-phenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(3-bromo-4-hexoxy-benzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[[(3-bromo-4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(3-bromo-4-hexoxybenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(3-bromo-4-hexoxy-benzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H28BrN3O3S2 MolecularWeight: 538.52072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N)Br

InChI

InChI=1S/C23H28BrN3O3S2/c1-2-3-4-7-12-30-17-11-10-14(13-16(17)24)21(29)26-23(31)27-22-19(20(25)28)15-8-5-6-9-18(15)32-22/h10-11,13H,2-9,12H2,1H3,(H2,25,28)(H2,26,27,29,31)