2-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide

Systemtic Name: 2-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide Openeye Name: 2-[2-[(4-benzyloxyphenyl)methyl-ethyl-amino]-2-oxo-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide CAS Name: 2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]thio]-4,5,6-trimethyl-3-pyridinecarboxamide IUPAC Name: 2-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide Traditional Name: 2-[[2-[(4-benzoxybenzyl)-ethyl-amino]-2-keto-ethyl]thio]-4,5,6-trimethyl-nicotinamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)CSC3=NC(=C(C(=C3C(=O)N)C)C)C

Isomeric SMILES

CCN(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)CSC3=NC(=C(C(=C3C(=O)N)C)C)C

InChI

InChI=1S/C27H31N3O3S/c1-5-30(15-21-11-13-23(14-12-21)33-16-22-9-7-6-8-10-22)24(31)17-34-27-25(26(28)32)19(3)18(2)20(4)29-27/h6-14H,5,15-17H2,1-4H3,(H2,28,32)