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

Systemtic Name: 2-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(3,5-dibromo-2-methoxy-benzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[[(3,5-dibromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(3,5-dibromo-2-methoxybenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(3,5-dibromo-2-methoxy-benzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H17Br2N3O3S2 MolecularWeight: 547.28388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N)Br)Br

InChI

InChI=1S/C18H17Br2N3O3S2/c1-26-14-10(6-8(19)7-11(14)20)16(25)22-18(27)23-17-13(15(21)24)9-4-2-3-5-12(9)28-17/h6-7H,2-5H2,1H3,(H2,21,24)(H2,22,23,25,27)