N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-(1,3-dithian-2-yl)benzamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-(1,3-dithian-2-yl)benzamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-(1,3-dithian-2-yl)benzamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-4-(1,3-dithian-2-yl)benzamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-(1,3-dithian-2-yl)benzamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-4-(1,3-dithian-2-yl)benzamide Formula: C21H25NOS3 MolecularWeight: 403.6243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)C2=CC=C(C=C2)C3SCCCS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)C2=CC=C(C=C2)C3SCCCS3)C

InChI

InChI=1S/C21H25NOS3/c1-15-4-9-19(14-16(15)2)24-13-10-22-20(23)17-5-7-18(8-6-17)21-25-11-3-12-26-21/h4-9,14,21H,3,10-13H2,1-2H3,(H,22,23)