2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[4-(3-methylbutanoylamino)phenyl]benzamide

Systemtic Name: 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[4-(3-methylbutanoylamino)phenyl]benzamide Openeye Name: 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanyl-N-[4-(3-methylbutanoylamino)phenyl]benzamide CAS Name: 2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]benzamide IUPAC Name: 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[4-(3-methylbutanoylamino)phenyl]benzamide Traditional Name: N-[4-(isovalerylamino)phenyl]-2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NCCOC

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NCCOC

InChI

InChI=1S/C23H29N3O4S/c1-16(2)14-21(27)25-17-8-10-18(11-9-17)26-23(29)19-6-4-5-7-20(19)31-15-22(28)24-12-13-30-3/h4-11,16H,12-15H2,1-3H3,(H,24,28)(H,25,27)(H,26,29)