N-[4-methylsulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[4-methylsulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]butan-2-yl]furan-2-carboxamide Openeye Name: N-[1-(4-benzyl-1,4-diazepane-1-carbonyl)-3-methylsulfanyl-propyl]furan-2-carboxamide CAS Name: N-[4-(methylthio)-1-oxo-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]butan-2-yl]-2-furancarboxamide IUPAC Name: N-[1-(4-benzyl-1,4-diazepan-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[1-(4-benzyl-1,4-diazepane-1-carbonyl)-3-(methylthio)propyl]-2-furamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CSCCC(C(=O)N1CCCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H29N3O3S/c1-29-16-10-19(23-21(26)20-9-5-15-28-20)22(27)25-12-6-11-24(13-14-25)17-18-7-3-2-4-8-18/h2-5,7-9,15,19H,6,10-14,16-17H2,1H3,(H,23,26)