1-[2-(2-azanyl-4-methylsulfanyl-butanoyl)-3-(2-oxidanylideneethyl)phenyl]-1-(1,3-benzodioxol-5-yl)-3-pyridin-2-yl-urea

Systemtic Name: 1-[2-(2-azanyl-4-methylsulfanyl-butanoyl)-3-(2-oxidanylideneethyl)phenyl]-1-(1,3-benzodioxol-5-yl)-3-pyridin-2-yl-urea Openeye Name: 1-[2-(2-amino-4-methylsulfanyl-butanoyl)-3-(2-oxoethyl)phenyl]-1-(1,3-benzodioxol-5-yl)-3-(2-pyridyl)urea CAS Name: 1-[2-[2-amino-4-(methylthio)-1-oxobutyl]-3-(2-oxoethyl)phenyl]-1-(1,3-benzodioxol-5-yl)-3-(2-pyridinyl)urea IUPAC Name: 1-[2-(2-amino-4-methylsulfanylbutanoyl)-3-(2-oxoethyl)phenyl]-1-(1,3-benzodioxol-5-yl)-3-pyridin-2-ylurea Traditional Name: 1-[2-[2-amino-4-(methylthio)butanoyl]-3-(2-ketoethyl)phenyl]-1-(1,3-benzodioxol-5-yl)-3-(2-pyridyl)urea Formula: C26H26N4O5S MolecularWeight: 506.57344

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C1=C(C=CC=C1N(C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=N4)CC=O)N

Isomeric SMILES

CSCCC(C(=O)C1=C(C=CC=C1N(C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=N4)CC=O)N

InChI

InChI=1S/C26H26N4O5S/c1-36-14-11-19(27)25(32)24-17(10-13-31)5-4-6-20(24)30(26(33)29-23-7-2-3-12-28-23)18-8-9-21-22(15-18)35-16-34-21/h2-9,12-13,15,19H,10-11,14,16,27H2,1H3,(H,28,29,33)