N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-5-bromanyl-furan-2-carboxamide

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-5-bromo-furan-2-carboxamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-5-bromo-2-furancarboxamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-5-bromofuran-2-carboxamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]-5-bromo-2-furamide Formula: C16H16BrN3O3S MolecularWeight: 410.28554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)N)C(=S)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)N)C(=S)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C16H16BrN3O3S/c17-13-7-6-12(23-13)15(22)19-16(24)20(9-8-14(18)21)10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H2,18,21)(H,19,22,24)