4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-N-piperazin-1-yl-N-(2-propan-2-ylphenyl)butanamide

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-N-piperazin-1-yl-N-(2-propan-2-ylphenyl)butanamide Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-isopropylphenyl)-2-methyl-N-piperazin-1-yl-butanamide CAS Name: 4-(1,3-benzoxazol-2-ylthio)-2-methyl-N-(1-piperazinyl)-N-(2-propan-2-ylphenyl)butanamide IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-N-piperazin-1-yl-N-(2-propan-2-ylphenyl)butanamide Traditional Name: 4-(1,3-benzoxazol-2-ylthio)-2-methyl-N-o-cumenyl-N-piperazino-butyramide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N(C(=O)C(C)CCSC2=NC3=CC=CC=C3O2)N4CCNCC4

Isomeric SMILES

CC(C)C1=CC=CC=C1N(C(=O)C(C)CCSC2=NC3=CC=CC=C3O2)N4CCNCC4

InChI

InChI=1S/C25H32N4O2S/c1-18(2)20-8-4-6-10-22(20)29(28-15-13-26-14-16-28)24(30)19(3)12-17-32-25-27-21-9-5-7-11-23(21)31-25/h4-11,18-19,26H,12-17H2,1-3H3