N-[4-[(3-methylbutylcarbamothioylamino)carbamoyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[(3-methylbutylcarbamothioylamino)carbamoyl]phenyl]furan-2-carboxamide Openeye Name: N-[4-[(isopentylcarbamothioylamino)carbamoyl]phenyl]furan-2-carboxamide CAS Name: N-[4-[[[(3-methylbutylamino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[(3-methylbutylcarbamothioylamino)carbamoyl]phenyl]furan-2-carboxamide Traditional Name: N-[4-[(isoamylthiocarbamoylamino)carbamoyl]phenyl]-2-furamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3S/c1-12(2)9-10-19-18(26)22-21-16(23)13-5-7-14(8-6-13)20-17(24)15-4-3-11-25-15/h3-8,11-12H,9-10H2,1-2H3,(H,20,24)(H,21,23)(H2,19,22,26)