4-(phenylmethyl)sulfonyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(phenylmethyl)sulfonyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: N-(3-allyl-1,3-benzothiazol-2-ylidene)-4-benzylsulfonyl-butanamide CAS Name: 4-(phenylmethyl)sulfonyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-benzylsulfonyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: N-(3-allyl-1,3-benzothiazol-2-ylidene)-4-benzylsulfonyl-butyramide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C=CCN1C2=CC=CC=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S2/c1-2-14-23-18-11-6-7-12-19(18)27-21(23)22-20(24)13-8-15-28(25,26)16-17-9-4-3-5-10-17/h2-7,9-12H,1,8,13-16H2