1-(3-methylsulfanylphenyl)-3-[2-(methylsulfonylamino)-1,3-benzothiazol-6-yl]urea

Systemtic Name: 1-(3-methylsulfanylphenyl)-3-[2-(methylsulfonylamino)-1,3-benzothiazol-6-yl]urea Openeye Name: 1-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-3-(3-methylsulfanylphenyl)urea CAS Name: 1-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-3-[3-(methylthio)phenyl]urea IUPAC Name: 1-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-3-(3-methylsulfanylphenyl)urea Traditional Name: 1-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-3-[3-(methylthio)phenyl]urea Formula: C16H16N4O3S3 MolecularWeight: 408.51824

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)NC2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)NC2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C

InChI

InChI=1S/C16H16N4O3S3/c1-24-12-5-3-4-10(8-12)17-15(21)18-11-6-7-13-14(9-11)25-16(19-13)20-26(2,22)23/h3-9H,1-2H3,(H,19,20)(H2,17,18,21)