2,2-dimethyl-3-[3-[(4-phenylphenyl)methylsulfanyl]propanoylamino]-N'-pyridin-4-yl-butanediamide

Systemtic Name: 2,2-dimethyl-3-[3-[(4-phenylphenyl)methylsulfanyl]propanoylamino]-N'-pyridin-4-yl-butanediamide Openeye Name: 2,2-dimethyl-3-[3-[(4-phenylphenyl)methylsulfanyl]propanoylamino]-N'-(4-pyridyl)butanediamide CAS Name: 2,2-dimethyl-3-[[1-oxo-3-[(4-phenylphenyl)methylthio]propyl]amino]-N'-pyridin-4-ylbutanediamide IUPAC Name: 2,2-dimethyl-3-[3-[(4-phenylphenyl)methylsulfanyl]propanoylamino]-N'-pyridin-4-ylbutanediamide Traditional Name: 2,2-dimethyl-3-[3-[(4-phenylbenzyl)thio]propanoylamino]-N'-(4-pyridyl)succinamide Formula: C27H30N4O3S MolecularWeight: 490.6171

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)NC1=CC=NC=C1)NC(=O)CCSCC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(C)(C(C(=O)NC1=CC=NC=C1)NC(=O)CCSCC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C27H30N4O3S/c1-27(2,26(28)34)24(25(33)30-22-12-15-29-16-13-22)31-23(32)14-17-35-18-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-13,15-16,24H,14,17-18H2,1-2H3,(H2,28,34)(H,31,32)(H,29,30,33)