[4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 2-[2-[(2-methyl-2-nitrososulfanyl-propyl)carbamoyl]phenyl]benzoate

Systemtic Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 2-[2-[(2-methyl-2-nitrososulfanyl-propyl)carbamoyl]phenyl]benzoate Openeye Name: [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] 2-[2-[(2-methyl-2-nitrososulfanyl-propyl)carbamoyl]phenyl]benzoate CAS Name: 2-[2-[[[2-methyl-2-(nitrosothio)propyl]amino]-oxomethyl]phenyl]benzoic acid [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] ester IUPAC Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] 2-[2-[(2-methyl-2-nitrososulfanylpropyl)carbamoyl]phenyl]benzoate Traditional Name: 2-[2-[[2-methyl-2-(nitrosothio)propyl]carbamoyl]phenyl]benzoic acid [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] ester Formula: C32H39N3O5S MolecularWeight: 577.73416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)NCC(C)(C)SN=O)C(C)C)OCCN(C)C

Isomeric SMILES

CC1=CC(=C(C=C1OC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)NCC(C)(C)SN=O)C(C)C)OCCN(C)C

InChI

InChI=1S/C32H39N3O5S/c1-21(2)27-19-28(22(3)18-29(27)39-17-16-35(6)7)40-31(37)26-15-11-9-13-24(26)23-12-8-10-14-25(23)30(36)33-20-32(4,5)41-34-38/h8-15,18-19,21H,16-17,20H2,1-7H3,(H,33,36)