N-[4-[2-(3-bromophenyl)sulfanylethylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[2-(3-bromophenyl)sulfanylethylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[4-[2-(3-bromophenyl)sulfanylethylcarbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[4-[[[2-[(3-bromophenyl)thio]ethylamino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[2-(3-bromophenyl)sulfanylethylcarbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[4-[2-[(3-bromophenyl)thio]ethylthiocarbamoylamino]phenyl]-2-furamide Formula: C20H18BrN3O2S2 MolecularWeight: 476.40982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)SCCNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)Br)SCCNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H18BrN3O2S2/c21-14-3-1-4-17(13-14)28-12-10-22-20(27)24-16-8-6-15(7-9-16)23-19(25)18-5-2-11-26-18/h1-9,11,13H,10,12H2,(H,23,25)(H2,22,24,27)