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

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-(3,5-dimethylphenyl)urea Openeye Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-(3,5-dimethylphenyl)urea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]amino]-3-(3,5-dimethylphenyl)urea IUPAC Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-(3,5-dimethylphenyl)urea Traditional Name: 1-[2-(1,3-benzothiazol-2-ylthio)propanoylamino]-3-(3,5-dimethylphenyl)urea Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)NNC(=O)C(C)SC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)NNC(=O)C(C)SC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C19H20N4O2S2/c1-11-8-12(2)10-14(9-11)20-18(25)23-22-17(24)13(3)26-19-21-15-6-4-5-7-16(15)27-19/h4-10,13H,1-3H3,(H,22,24)(H2,20,23,25)