N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-[4-(3,4-dimethylphenyl)-2-thiazolyl]-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-3-[(4-methoxyphenyl)thio]propionamide Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCSC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCSC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H22N2O2S2/c1-14-4-5-16(12-15(14)2)19-13-27-21(22-19)23-20(24)10-11-26-18-8-6-17(25-3)7-9-18/h4-9,12-13H,10-11H2,1-3H3,(H,22,23,24)