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

Systemtic Name: 2-[(3-bromanyl-4-phenethyloxy-phenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(3-bromo-4-phenethyloxy-benzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[[(3-bromo-4-phenethyloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(3-bromo-4-phenethyloxybenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(3-bromo-4-phenethyloxy-benzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H24BrN3O3S2 MolecularWeight: 558.51036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br)C(=O)N

InChI

InChI=1S/C25H24BrN3O3S2/c26-18-14-16(10-11-19(18)32-13-12-15-6-2-1-3-7-15)23(31)28-25(33)29-24-21(22(27)30)17-8-4-5-9-20(17)34-24/h1-3,6-7,10-11,14H,4-5,8-9,12-13H2,(H2,27,30)(H2,28,29,31,33)