N-[3-[(3-bromanyl-4-methyl-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[(3-bromanyl-4-methyl-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[(3-bromo-4-methyl-benzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[(3-bromo-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[(3-bromo-4-methylbenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[(3-bromo-4-methyl-benzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C20H16BrN3O3S MolecularWeight: 458.32834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3)Br

InChI

InChI=1S/C20H16BrN3O3S/c1-12-7-8-13(10-16(12)21)18(25)24-20(28)23-15-5-2-4-14(11-15)22-19(26)17-6-3-9-27-17/h2-11H,1H3,(H,22,26)(H2,23,24,25,28)