1-ethyl-3-[7-(phenylsulfonyl)-1,3-benzothiazol-2-yl]urea

Systemtic Name: 1-ethyl-3-[7-(phenylsulfonyl)-1,3-benzothiazol-2-yl]urea Openeye Name: 1-[7-(benzenesulfonyl)-1,3-benzothiazol-2-yl]-3-ethyl-urea CAS Name: 1-[7-(benzenesulfonyl)-1,3-benzothiazol-2-yl]-3-ethylurea IUPAC Name: 1-[7-(benzenesulfonyl)-1,3-benzothiazol-2-yl]-3-ethylurea Traditional Name: 1-(7-besyl-1,3-benzothiazol-2-yl)-3-ethyl-urea Formula: C16H15N3O3S2 MolecularWeight: 361.4386

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(S1)C(=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCNC(=O)NC1=NC2=C(S1)C(=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H15N3O3S2/c1-2-17-15(20)19-16-18-12-9-6-10-13(14(12)23-16)24(21,22)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H2,17,18,19,20)