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

Systemtic Name: (3-propan-2-ylphenyl) 4-(2-dimethylaminoethyloxy)-2-methyl-5-[4-(2-methyl-2-nitrososulfanyl-propyl)piperazin-1-yl]-5-oxidanylidene-pentanoate Openeye Name: (3-isopropylphenyl) 4-(2-dimethylaminoethyloxy)-2-methyl-5-[4-(2-methyl-2-nitrososulfanyl-propyl)piperazin-1-yl]-5-oxo-pentanoate CAS Name: 4-(2-dimethylaminoethyloxy)-2-methyl-5-[4-[2-methyl-2-(nitrosothio)propyl]-1-piperazinyl]-5-oxopentanoic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 4-(2-dimethylaminoethyloxy)-2-methyl-5-[4-(2-methyl-2-nitrososulfanylpropyl)piperazin-1-yl]-5-oxopentanoate Traditional Name: 4-(2-dimethylaminoethyloxy)-5-keto-2-methyl-5-[4-[2-methyl-2-(nitrosothio)propyl]piperazino]valeric acid m-cumenyl ester Formula: C27H44N4O5S MolecularWeight: 536.72706

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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)SN=O)OCCN(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H44N4O5S/c1-20(2)22-9-8-10-23(18-22)36-26(33)21(3)17-24(35-16-15-29(6)7)25(32)31-13-11-30(12-14-31)19-27(4,5)37-28-34/h8-10,18,20-21,24H,11-17,19H2,1-7H3