N-[2-chloranyl-5-[2-(3,4-dimethylphenyl)sulfanylethylcarbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-chloranyl-5-[2-(3,4-dimethylphenyl)sulfanylethylcarbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-chloro-5-[2-(3,4-dimethylphenyl)sulfanylethylcarbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-chloro-5-[[2-[(3,4-dimethylphenyl)thio]ethylamino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-chloro-5-[2-(3,4-dimethylphenyl)sulfanylethylcarbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-chloro-5-[2-[(3,4-dimethylphenyl)thio]ethylcarbamoyl]phenyl]thiophene-2-carboxamide Formula: C22H21ClN2O2S2 MolecularWeight: 444.99734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3)C

InChI

InChI=1S/C22H21ClN2O2S2/c1-14-5-7-17(12-15(14)2)28-11-9-24-21(26)16-6-8-18(23)19(13-16)25-22(27)20-4-3-10-29-20/h3-8,10,12-13H,9,11H2,1-2H3,(H,24,26)(H,25,27)