N-[2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methyl-butanamide

Systemtic Name: N-[2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methyl-butanamide Openeye Name: N-[2-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methyl-butanamide CAS Name: N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-3-methylbutanamide IUPAC Name: N-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methylbutanamide Traditional Name: N-[2-[[2-keto-2-(p-anisidino)ethyl]thio]-1,3-benzothiazol-6-yl]-3-methyl-butyramide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-13(2)10-19(25)23-15-6-9-17-18(11-15)29-21(24-17)28-12-20(26)22-14-4-7-16(27-3)8-5-14/h4-9,11,13H,10,12H2,1-3H3,(H,22,26)(H,23,25)