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

Systemtic Name: N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamothioyl]furan-2-carboxamide CAS Name: N-[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoyl]-2-furamide Formula: C17H18N4O4S MolecularWeight: 374.41422

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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=CO2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=CO2

InChI

InChI=1S/C17H18N4O4S/c22-14(18-11-12-5-2-1-3-6-12)8-9-15(23)20-21-17(26)19-16(24)13-7-4-10-25-13/h1-7,10H,8-9,11H2,(H,18,22)(H,20,23)(H2,19,21,24,26)