1,1-dihexyl-3-methyl-3-[[methyl-(3-methyl-2-oxidanylidene-1-phenyl-pentan-3-yl)amino]-oxidanidyl-phosphinothioyl]urea

Systemtic Name: 1,1-dihexyl-3-methyl-3-[[methyl-(3-methyl-2-oxidanylidene-1-phenyl-pentan-3-yl)amino]-oxidanidyl-phosphinothioyl]urea Openeye Name: 1-[[(1-ethyl-1-methyl-2-oxo-3-phenyl-propyl)-methyl-amino]-oxido-phosphinothioyl]-3,3-dihexyl-1-methyl-urea CAS Name: 1,1-dihexyl-3-methyl-3-[[methyl-(3-methyl-2-oxo-1-phenylpentan-3-yl)amino]-oxidophosphinothioyl]urea IUPAC Name: 1,1-dihexyl-3-methyl-3-[[methyl-(3-methyl-2-oxo-1-phenylpentan-3-yl)amino]-oxidophosphinothioyl]urea Traditional Name: 1-[[(1-ethyl-2-keto-1-methyl-3-phenyl-propyl)-methyl-amino]-oxido-thiophosphoryl]-3,3-dihexyl-1-methyl-urea Formula: C27H47N3O3PS- MolecularWeight: 524.719141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=O)N(C)P(=S)(N(C)C(C)(CC)C(=O)CC1=CC=CC=C1)[O-]

Isomeric SMILES

CCCCCCN(CCCCCC)C(=O)N(C)P(=S)(N(C)C(C)(CC)C(=O)CC1=CC=CC=C1)[O-]

InChI

InChI=1S/C27H48N3O3PS/c1-7-10-12-17-21-30(22-18-13-11-8-2)26(32)28(5)34(33,35)29(6)27(4,9-3)25(31)23-24-19-15-14-16-20-24/h14-16,19-20H,7-13,17-18,21-23H2,1-6H3,(H,33,35)/p-1