1-[3-[4-methyl-3-[2-[(3-phenethylphenyl)disulfanyl]ethyl]piperazin-1-yl]-3-oxidanylidene-1-phenyl-propyl]urea

Systemtic Name: 1-[3-[4-methyl-3-[2-[(3-phenethylphenyl)disulfanyl]ethyl]piperazin-1-yl]-3-oxidanylidene-1-phenyl-propyl]urea Openeye Name: [3-[4-methyl-3-[2-[(3-phenethylphenyl)disulfanyl]ethyl]piperazin-1-yl]-3-oxo-1-phenyl-propyl]urea CAS Name: [3-[4-methyl-3-[2-[(3-phenethylphenyl)disulfanyl]ethyl]-1-piperazinyl]-3-oxo-1-phenylpropyl]urea IUPAC Name: [3-[4-methyl-3-[2-[(3-phenethylphenyl)disulfanyl]ethyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]urea Traditional Name: [3-keto-3-[4-methyl-3-[2-[(3-phenethylphenyl)disulfanyl]ethyl]piperazino]-1-phenyl-propyl]urea Formula: C31H38N4O2S2 MolecularWeight: 562.78902

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1CCSSC2=CC=CC(=C2)CCC3=CC=CC=C3)C(=O)CC(C4=CC=CC=C4)NC(=O)N

Isomeric SMILES

CN1CCN(CC1CCSSC2=CC=CC(=C2)CCC3=CC=CC=C3)C(=O)CC(C4=CC=CC=C4)NC(=O)N

InChI

InChI=1S/C31H38N4O2S2/c1-34-18-19-35(30(36)22-29(33-31(32)37)26-12-6-3-7-13-26)23-27(34)17-20-38-39-28-14-8-11-25(21-28)16-15-24-9-4-2-5-10-24/h2-14,21,27,29H,15-20,22-23H2,1H3,(H3,32,33,37)