N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-allyl-N-[4-(4-methylsulfonylphenyl)thiazol-2-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[4-(4-methylsulfonylphenyl)-2-thiazolyl]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-allyl-N-[4-(4-mesylphenyl)thiazol-2-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H22N2O3S3 MolecularWeight: 458.61668

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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)C3=CSC4=C3CCCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)N(CC=C)C(=O)C3=CSC4=C3CCCC4

InChI

InChI=1S/C22H22N2O3S3/c1-3-12-24(21(25)18-13-28-20-7-5-4-6-17(18)20)22-23-19(14-29-22)15-8-10-16(11-9-15)30(2,26)27/h3,8-11,13-14H,1,4-7,12H2,2H3