1-(4-ethylphenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea

Systemtic Name: 1-(4-ethylphenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea Openeye Name: 1-(4-ethylphenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea CAS Name: 1-(4-ethylphenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea IUPAC Name: 1-(4-ethylphenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea Traditional Name: 1-(4-ethylphenyl)-3-(6-mesyl-1,3-benzothiazol-2-yl)urea Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H17N3O3S2/c1-3-11-4-6-12(7-5-11)18-16(21)20-17-19-14-9-8-13(25(2,22)23)10-15(14)24-17/h4-10H,3H2,1-2H3,(H2,18,19,20,21)