(E)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-benzyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-benzyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-benzyl-N-(4-mesyl-1,3-benzothiazol-2-yl)-3-(2-thienyl)acrylamide Formula: C22H18N2O3S3 MolecularWeight: 454.58492

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)C=CC4=CC=CS4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C22H18N2O3S3/c1-30(26,27)19-11-5-10-18-21(19)23-22(29-18)24(15-16-7-3-2-4-8-16)20(25)13-12-17-9-6-14-28-17/h2-14H,15H2,1H3/b13-12+