N-[2-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: N-[2-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-[2-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide CAS Name: N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: N-[2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]propionamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C20H21N3O2S2/c1-4-17(24)21-14-8-9-15-16(10-14)27-20(22-15)26-11-18(25)23-19-12(2)6-5-7-13(19)3/h5-10H,4,11H2,1-3H3,(H,21,24)(H,23,25)