N-[4-[[[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]methyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[[[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]methyl]phenyl]furan-2-carboxamide Openeye Name: N-[4-[[(4-methylsulfanyl-2-ureido-butanoyl)amino]methyl]phenyl]furan-2-carboxamide CAS Name: N-[4-[[[2-(carbamoylamino)-4-(methylthio)-1-oxobutyl]amino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]methyl]phenyl]furan-2-carboxamide Traditional Name: N-[4-[[[4-(methylthio)-2-ureido-butanoyl]amino]methyl]phenyl]-2-furamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)N

Isomeric SMILES

CSCCC(C(=O)NCC1=CC=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)N

InChI

InChI=1S/C18H22N4O4S/c1-27-10-8-14(22-18(19)25)16(23)20-11-12-4-6-13(7-5-12)21-17(24)15-3-2-9-26-15/h2-7,9,14H,8,10-11H2,1H3,(H,20,23)(H,21,24)(H3,19,22,25)