N-[2-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-prop-2-enamide

Systemtic Name: N-[2-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-prop-2-enamide Openeye Name: N-[2-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-prop-2-enamide CAS Name: N-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-3-phenyl-2-propenamide IUPAC Name: N-[2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide Traditional Name: N-[2-[[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-3-phenyl-acrylamide Formula: C25H20ClN3O2S2 MolecularWeight: 494.0282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C=CC4=CC=CC=C4

InChI

InChI=1S/C25H20ClN3O2S2/c1-16-19(26)8-5-9-20(16)28-24(31)15-32-25-29-21-12-11-18(14-22(21)33-25)27-23(30)13-10-17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,27,30)(H,28,31)