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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC(=O)CCCC(=O)N2CCN(CC2)CC(C)(C)SN=O)C(C)C)OCCN(C)C

Isomeric SMILES

CC1=CC(=C(C=C1OC(=O)CCCC(=O)N2CCN(CC2)CC(C)(C)SN=O)C(C)C)OCCN(C)C

InChI

InChI=1S/C27H44N4O5S/c1-20(2)22-18-23(21(3)17-24(22)35-16-15-29(6)7)36-26(33)10-8-9-25(32)31-13-11-30(12-14-31)19-27(4,5)37-28-34/h17-18,20H,8-16,19H2,1-7H3