5-bromanyl-N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamothioyl]-5-bromo-furan-2-carboxamide CAS Name: 5-bromo-N-[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioyl]-5-bromofuran-2-carboxamide Traditional Name: N-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoyl]-5-bromo-2-furamide Formula: C17H17BrN4O4S MolecularWeight: 453.31028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C17H17BrN4O4S/c18-13-7-6-12(26-13)16(25)20-17(27)22-21-15(24)9-8-14(23)19-10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,19,23)(H,21,24)(H2,20,22,25,27)