2-[2-[[2,6-bis(chloranyl)phenyl]amino]phenyl]-1-[4-[4-(2-methyl-2-nitrososulfanyl-propyl)piperazin-1-yl]carbonylphenyl]ethanone

Systemtic Name: 2-[2-[[2,6-bis(chloranyl)phenyl]amino]phenyl]-1-[4-[4-(2-methyl-2-nitrososulfanyl-propyl)piperazin-1-yl]carbonylphenyl]ethanone Openeye Name: 2-[2-(2,6-dichloroanilino)phenyl]-1-[4-[4-(2-methyl-2-nitrososulfanyl-propyl)piperazine-1-carbonyl]phenyl]ethanone CAS Name: 1-[4-[[4-[2-[2-(2,6-dichloroanilino)phenyl]-1-oxoethyl]phenyl]-oxomethyl]-1-piperazinyl]-2-methyl-N-oxo-2-propanesulfenamide IUPAC Name: 2-[2-(2,6-dichloroanilino)phenyl]-1-[4-[4-(2-methyl-2-nitrososulfanylpropyl)piperazine-1-carbonyl]phenyl]ethanone Traditional Name: 2-[2-(2,6-dichloroanilino)phenyl]-1-[4-[4-[2-methyl-2-(nitrosothio)propyl]piperazine-1-carbonyl]phenyl]ethanone Formula: C29H30Cl2N4O3S MolecularWeight: 585.5445

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)CC3=CC=CC=C3NC4=C(C=CC=C4Cl)Cl)SN=O

Isomeric SMILES

CC(C)(CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)CC3=CC=CC=C3NC4=C(C=CC=C4Cl)Cl)SN=O

InChI

InChI=1S/C29H30Cl2N4O3S/c1-29(2,39-33-38)19-34-14-16-35(17-15-34)28(37)21-12-10-20(11-13-21)26(36)18-22-6-3-4-9-25(22)32-27-23(30)7-5-8-24(27)31/h3-13,32H,14-19H2,1-2H3