3-methyl-N-[2-oxidanylidene-2-[[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]ethyl]butanamide

Systemtic Name: 3-methyl-N-[2-oxidanylidene-2-[[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]ethyl]butanamide Openeye Name: 3-methyl-N-[2-oxo-2-[[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]amino]ethyl]butanamide CAS Name: 3-methyl-N-[2-oxo-2-[[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]amino]ethyl]butanamide IUPAC Name: 3-methyl-N-[2-oxo-2-[[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]ethyl]butanamide Traditional Name: N-[2-keto-2-[[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]amino]ethyl]-3-methyl-butyramide Formula: C20H23N3O2S3 MolecularWeight: 433.61052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3=CSC=C3

Isomeric SMILES

CC(C)CC(=O)NCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3=CSC=C3

InChI

InChI=1S/C20H23N3O2S3/c1-13(2)9-18(24)21-11-19(25)22-15-3-4-16-17(10-15)28-20(23-16)27-8-6-14-5-7-26-12-14/h3-5,7,10,12-13H,6,8-9,11H2,1-2H3,(H,21,24)(H,22,25)