(3-propan-2-ylphenyl) 4-(2-dimethylaminoethyloxy)-2-methyl-5-[4-(2-methyl-2-sulfanyl-propyl)piperazin-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: (3-propan-2-ylphenyl) 4-(2-dimethylaminoethyloxy)-2-methyl-5-[4-(2-methyl-2-sulfanyl-propyl)piperazin-1-yl]-5-oxidanylidene-pentanoate Openeye Name: (3-isopropylphenyl) 4-(2-dimethylaminoethyloxy)-2-methyl-5-[4-(2-methyl-2-sulfanyl-propyl)piperazin-1-yl]-5-oxo-pentanoate CAS Name: 4-(2-dimethylaminoethyloxy)-5-[4-(2-mercapto-2-methylpropyl)-1-piperazinyl]-2-methyl-5-oxopentanoic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 4-(2-dimethylaminoethyloxy)-2-methyl-5-[4-(2-methyl-2-sulfanylpropyl)piperazin-1-yl]-5-oxopentanoate Traditional Name: 4-(2-dimethylaminoethyloxy)-5-keto-5-[4-(2-mercapto-2-methyl-propyl)piperazino]-2-methyl-valeric acid m-cumenyl ester Formula: C27H45N3O4S MolecularWeight: 507.7289

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OC(=O)C(C)CC(C(=O)N2CCN(CC2)CC(C)(C)S)OCCN(C)C

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OC(=O)C(C)CC(C(=O)N2CCN(CC2)CC(C)(C)S)OCCN(C)C

InChI

InChI=1S/C27H45N3O4S/c1-20(2)22-9-8-10-23(18-22)34-26(32)21(3)17-24(33-16-15-28(6)7)25(31)30-13-11-29(12-14-30)19-27(4,5)35/h8-10,18,20-21,24,35H,11-17,19H2,1-7H3