N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enyl-4-thiophen-2-yl-butanamide

Systemtic Name: N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enyl-4-thiophen-2-yl-butanamide Openeye Name: N-allyl-N-[4-(4-methylsulfonylphenyl)thiazol-2-yl]-4-(2-thienyl)butanamide CAS Name: N-[4-(4-methylsulfonylphenyl)-2-thiazolyl]-N-prop-2-enyl-4-thiophen-2-ylbutanamide IUPAC Name: N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enyl-4-thiophen-2-ylbutanamide Traditional Name: N-allyl-N-[4-(4-mesylphenyl)thiazol-2-yl]-4-(2-thienyl)butyramide Formula: C21H22N2O3S3 MolecularWeight: 446.60598

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)N(CC=C)C(=O)CCCC3=CC=CS3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)N(CC=C)C(=O)CCCC3=CC=CS3

InChI

InChI=1S/C21H22N2O3S3/c1-3-13-23(20(24)8-4-6-17-7-5-14-27-17)21-22-19(15-28-21)16-9-11-18(12-10-16)29(2,25)26/h3,5,7,9-12,14-15H,1,4,6,8,13H2,2H3