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

Systemtic Name: 2-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(3,5-dibromo-2-methoxy-benzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[[(3,5-dibromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(3,5-dibromo-2-methoxybenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(3,5-dibromo-2-methoxy-benzoyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H19Br2N3O3S2 MolecularWeight: 561.31046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC(=CC(=C3OC)Br)Br

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC(=CC(=C3OC)Br)Br

InChI

InChI=1S/C19H19Br2N3O3S2/c1-8-3-4-10-13(5-8)29-18(14(10)16(22)25)24-19(28)23-17(26)11-6-9(20)7-12(21)15(11)27-2/h6-8H,3-5H2,1-2H3,(H2,22,25)(H2,23,24,26,28)