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

Systemtic Name: 2-ethyl-N-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]butanamide Openeye Name: N-[2-(2-anilino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-2-ethyl-butanamide CAS Name: N-[2-[(2-anilino-2-oxoethyl)thio]-1,3-benzothiazol-6-yl]-2-ethylbutanamide IUPAC Name: N-[2-(2-anilino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-2-ethylbutanamide Traditional Name: N-[2-[(2-anilino-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]-2-ethyl-butyramide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S2/c1-3-14(4-2)20(26)23-16-10-11-17-18(12-16)28-21(24-17)27-13-19(25)22-15-8-6-5-7-9-15/h5-12,14H,3-4,13H2,1-2H3,(H,22,25)(H,23,26)