N-(1,3-benzothiazol-2-yl)-2-(4-chloranyl-2-methyl-phenoxy)ethanamide hydrate

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(4-chloranyl-2-methyl-phenoxy)ethanamide hydrate Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methyl-phenoxy)acetamide hydrate CAS Name: N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide hydrate IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide hydrate Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methyl-phenoxy)acetamide hydrate Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=NC3=CC=CC=C3S2.O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=NC3=CC=CC=C3S2.O

InChI

InChI=1S/C16H13ClN2O2S.H2O/c1-10-8-11(17)6-7-13(10)21-9-15(20)19-16-18-12-4-2-3-5-14(12)22-16;/h2-8H,9H2,1H3,(H,18,19,20);1H2