1-(1,3-benzodioxol-5-yl)-3-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]urea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]amino]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(1,3-benzothiazol-2-ylthio)propanoylamino]urea Formula: C18H16N4O4S2 MolecularWeight: 416.47404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NNC(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H16N4O4S2/c1-10(27-18-20-12-4-2-3-5-15(12)28-18)16(23)21-22-17(24)19-11-6-7-13-14(8-11)26-9-25-13/h2-8,10H,9H2,1H3,(H,21,23)(H2,19,22,24)