1-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenyl-urea hydrate

Systemtic Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenyl-urea hydrate Openeye Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenyl-urea hydrate CAS Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylurea hydrate IUPAC Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylurea hydrate Traditional Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenyl-urea hydrate Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC=CC=C3.O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC=CC=C3.O

InChI

InChI=1S/C15H13N3O2S.H2O/c1-20-11-7-8-12-13(9-11)21-15(17-12)18-14(19)16-10-5-3-2-4-6-10;/h2-9H,1H3,(H2,16,17,18,19);1H2