N-(6-ethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(6-ethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: N-(3-allyl-6-ethyl-1,3-benzothiazol-2-ylidene)-3-benzylsulfonyl-propanamide CAS Name: N-(6-ethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(6-ethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: N-(3-allyl-6-ethyl-1,3-benzothiazol-2-ylidene)-3-benzylsulfonyl-propionamide Formula: C22H24N2O3S2 MolecularWeight: 428.56756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC=C

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC=C

InChI

InChI=1S/C22H24N2O3S2/c1-3-13-24-19-11-10-17(4-2)15-20(19)28-22(24)23-21(25)12-14-29(26,27)16-18-8-6-5-7-9-18/h3,5-11,15H,1,4,12-14,16H2,2H3