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

Systemtic Name: 3,3-dimethyl-N-[4-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]butanamide Openeye Name: 3,3-dimethyl-N-[4-[1-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanylphenyl]butanamide CAS Name: 3,3-dimethyl-N-[4-[[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]thio]phenyl]butanamide IUPAC Name: 3,3-dimethyl-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]-3,3-dimethyl-butyramide Formula: C23H27N3O2S2 MolecularWeight: 441.60938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=CC=C(C=C3)NC(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=CC=C(C=C3)NC(=O)CC(C)(C)C

InChI

InChI=1S/C23H27N3O2S2/c1-14-6-11-18-19(12-14)30-22(25-18)26-21(28)15(2)29-17-9-7-16(8-10-17)24-20(27)13-23(3,4)5/h6-12,15H,13H2,1-5H3,(H,24,27)(H,25,26,28)