2-ethyl-N-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide

Systemtic Name: 2-ethyl-N-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide Openeye Name: 2-ethyl-N-[2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide CAS Name: 2-ethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]butanamide IUPAC Name: 2-ethyl-N-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide Traditional Name: 2-ethyl-N-[2-[[2-keto-2-(m-toluidino)ethyl]thio]-1,3-benzothiazol-6-yl]butyramide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCC(CC)C(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C22H25N3O2S2/c1-4-15(5-2)21(27)24-17-9-10-18-19(12-17)29-22(25-18)28-13-20(26)23-16-8-6-7-14(3)11-16/h6-12,15H,4-5,13H2,1-3H3,(H,23,26)(H,24,27)