N'-octyl-N-(3-oxidanylidenebutanoyl)-N'-prop-2-enethioyl-benzohydrazide

Systemtic Name: N'-octyl-N-(3-oxidanylidenebutanoyl)-N'-prop-2-enethioyl-benzohydrazide Openeye Name: N'-octyl-N-(3-oxobutanoyl)-N'-prop-2-enethioyl-benzohydrazide CAS Name: N-(1,3-dioxobutyl)-N'-octyl-N'-(1-sulfanylideneprop-2-enyl)benzohydrazide IUPAC Name: N'-octyl-N-(3-oxobutanoyl)-N'-prop-2-enethioylbenzohydrazide Traditional Name: N-acetoacetyl-N'-octyl-N'-thioacryloyl-benzohydrazide Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C(=S)C=C)N(C(=O)CC(=O)C)C(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCN(C(=S)C=C)N(C(=O)CC(=O)C)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C22H30N2O3S/c1-4-6-7-8-9-13-16-23(21(28)5-2)24(20(26)17-18(3)25)22(27)19-14-11-10-12-15-19/h5,10-12,14-15H,2,4,6-9,13,16-17H2,1,3H3