1-(3-methylsulfanylphenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea

Systemtic Name: 1-(3-methylsulfanylphenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea Openeye Name: 1-(3-methylsulfanylphenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea CAS Name: 1-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[3-(methylthio)phenyl]urea IUPAC Name: 1-(3-methylsulfanylphenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea Traditional Name: 1-(6-mesyl-1,3-benzothiazol-2-yl)-3-[3-(methylthio)phenyl]urea Formula: C16H15N3O3S3 MolecularWeight: 393.5036

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C16H15N3O3S3/c1-23-11-5-3-4-10(8-11)17-15(20)19-16-18-13-7-6-12(25(2,21)22)9-14(13)24-16/h3-9H,1-2H3,(H2,17,18,19,20)