N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide Openeye Name: N-(3-allyl-6-methyl-1,3-benzothiazol-2-ylidene)-4-(benzenesulfonyl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: N-(3-allyl-6-methyl-1,3-benzothiazol-2-ylidene)-4-besyl-butyramide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)CC=C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)CC=C

InChI

InChI=1S/C21H22N2O3S2/c1-3-13-23-18-12-11-16(2)15-19(18)27-21(23)22-20(24)10-7-14-28(25,26)17-8-5-4-6-9-17/h3-6,8-9,11-12,15H,1,7,10,13-14H2,2H3