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

Systemtic Name: N-[2-[[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethyl]-3-methyl-butanamide Openeye Name: N-[2-[[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]-2-oxo-ethyl]-3-methyl-butanamide CAS Name: N-[2-[[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]amino]-2-oxoethyl]-3-methylbutanamide IUPAC Name: N-[2-[[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]-2-oxoethyl]-3-methylbutanamide Traditional Name: N-[2-keto-2-[[2-(o-anisylthio)-1,3-benzothiazol-6-yl]amino]ethyl]-3-methyl-butyramide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=C3OC

Isomeric SMILES

CC(C)CC(=O)NCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=C3OC

InChI

InChI=1S/C22H25N3O3S2/c1-14(2)10-20(26)23-12-21(27)24-16-8-9-17-19(11-16)30-22(25-17)29-13-15-6-4-5-7-18(15)28-3/h4-9,11,14H,10,12-13H2,1-3H3,(H,23,26)(H,24,27)