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

Systemtic Name: 2-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(5-bromo-2-chloro-benzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H15BrClN3O2S2 MolecularWeight: 472.8069

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrClN3O2S2/c18-8-5-6-11(19)10(7-8)15(24)21-17(25)22-16-13(14(20)23)9-3-1-2-4-12(9)26-16/h5-7H,1-4H2,(H2,20,23)(H2,21,22,24,25)