1-(3-methylsulfanylphenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea

Systemtic Name: 1-(3-methylsulfanylphenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea Openeye Name: 1-(3-methylsulfanylphenyl)-3-[4-(1-piperidyl)-2,1,3-benzoxadiazol-7-yl]urea CAS Name: 1-[3-(methylthio)phenyl]-3-[4-(1-piperidinyl)-2,1,3-benzoxadiazol-7-yl]urea IUPAC Name: 1-(3-methylsulfanylphenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea Traditional Name: 1-[3-(methylthio)phenyl]-3-(7-piperidinobenzofurazan-4-yl)urea Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)NC2=CC=C(C3=NON=C23)N4CCCCC4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)NC2=CC=C(C3=NON=C23)N4CCCCC4

InChI

InChI=1S/C19H21N5O2S/c1-27-14-7-5-6-13(12-14)20-19(25)21-15-8-9-16(18-17(15)22-26-23-18)24-10-3-2-4-11-24/h5-9,12H,2-4,10-11H2,1H3,(H2,20,21,25)