N-(2,6-diethylphenyl)-3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanamide hydrate

Systemtic Name: N-(2,6-diethylphenyl)-3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanamide hydrate Openeye Name: N-(2,6-diethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide hydrate CAS Name: N-(2,6-diethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide hydrate IUPAC Name: N-(2,6-diethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide hydrate Traditional Name: N-(2,6-diethylphenyl)-3-(2-keto-1,3-benzothiazol-3-yl)propionamide hydrate Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CCN2C3=CC=CC=C3SC2=O.O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CCN2C3=CC=CC=C3SC2=O.O

InChI

InChI=1S/C20H22N2O2S.H2O/c1-3-14-8-7-9-15(4-2)19(14)21-18(23)12-13-22-16-10-5-6-11-17(16)25-20(22)24;/h5-11H,3-4,12-13H2,1-2H3,(H,21,23);1H2