N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C23H28ClN3O2S2 MolecularWeight: 478.07032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)CCSC3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)CCSC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H28ClN3O2S2/c1-4-26(5-2)13-14-27(23-25-20-11-6-17(24)16-21(20)31-23)22(28)12-15-30-19-9-7-18(29-3)8-10-19/h6-11,16H,4-5,12-15H2,1-3H3