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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C23H29N3O2S2 MolecularWeight: 443.62526

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)CCSC3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)CCSC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H29N3O2S2/c1-4-25(5-2)15-16-26(23-24-20-8-6-7-9-21(20)30-23)22(27)14-17-29-19-12-10-18(28-3)11-13-19/h6-13H,4-5,14-17H2,1-3H3