N-[octyl(prop-2-enoyl)amino]sulfanyl-N-(3-oxidanylidenebutanoyl)benzamide

Systemtic Name: N-[octyl(prop-2-enoyl)amino]sulfanyl-N-(3-oxidanylidenebutanoyl)benzamide Openeye Name: N-[octyl(prop-2-enoyl)amino]sulfanyl-N-(3-oxobutanoyl)benzamide CAS Name: N-(1,3-dioxobutyl)-N-[[octyl(1-oxoprop-2-enyl)amino]thio]benzamide IUPAC Name: N-[octyl(prop-2-enoyl)amino]sulfanyl-N-(3-oxobutanoyl)benzamide Traditional Name: N-acetoacetyl-N-[[acryloyl(octyl)amino]thio]benzamide Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C(=O)C=C)SN(C(=O)CC(=O)C)C(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCN(C(=O)C=C)SN(C(=O)CC(=O)C)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C22H30N2O4S/c1-4-6-7-8-9-13-16-23(20(26)5-2)29-24(21(27)17-18(3)25)22(28)19-14-11-10-12-15-19/h5,10-12,14-15H,2,4,6-9,13,16-17H2,1,3H3