N-[4-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]butanamide

Systemtic Name: N-[4-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]butanamide Openeye Name: N-[4-[1-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanylphenyl]butanamide CAS Name: N-[4-[[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thio]phenyl]butanamide IUPAC Name: N-[4-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]butanamide Traditional Name: N-[4-[[2-keto-1-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]thio]phenyl]butyramide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)SC(C)C(=O)NC2=NC3=C(S2)C=C(C=C3)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)SC(C)C(=O)NC2=NC3=C(S2)C=C(C=C3)C

InChI

InChI=1S/C21H23N3O2S2/c1-4-5-19(25)22-15-7-9-16(10-8-15)27-14(3)20(26)24-21-23-17-11-6-13(2)12-18(17)28-21/h6-12,14H,4-5H2,1-3H3,(H,22,25)(H,23,24,26)