N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: N-(3-allyl-6-methoxy-1,3-benzothiazol-2-ylidene)-4-benzylsulfonyl-butanamide CAS Name: N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: N-(3-allyl-6-methoxy-1,3-benzothiazol-2-ylidene)-4-benzylsulfonyl-butyramide Formula: C22H24N2O4S2 MolecularWeight: 444.56696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)CC=C

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)CC=C

InChI

InChI=1S/C22H24N2O4S2/c1-3-13-24-19-12-11-18(28-2)15-20(19)29-22(24)23-21(25)10-7-14-30(26,27)16-17-8-5-4-6-9-17/h3-6,8-9,11-12,15H,1,7,10,13-14,16H2,2H3