N-(6-methyl-1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(methylthio)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(methylthio)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CCSC)NS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CCSC)NS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S3/c1-15-8-9-17-19(14-15)29-21(22-17)23-20(25)18(10-12-28-2)24-30(26,27)13-11-16-6-4-3-5-7-16/h3-9,11,13-14,18,24H,10,12H2,1-2H3,(H,22,23,25)/b13-11+