N-(2-methylphenyl)-N-[octyl(prop-2-enoyl)amino]sulfanyl-3-oxidanylidene-butanamide

Systemtic Name: N-(2-methylphenyl)-N-[octyl(prop-2-enoyl)amino]sulfanyl-3-oxidanylidene-butanamide Openeye Name: N-[octyl(prop-2-enoyl)amino]sulfanyl-N-(o-tolyl)-3-oxo-butanamide CAS Name: N-(2-methylphenyl)-N-[[octyl(1-oxoprop-2-enyl)amino]thio]-3-oxobutanamide IUPAC Name: N-(2-methylphenyl)-N-[octyl(prop-2-enoyl)amino]sulfanyl-3-oxobutanamide Traditional Name: N-[[acryloyl(octyl)amino]thio]-3-keto-N-(o-tolyl)butyramide Formula: C22H32N2O3S MolecularWeight: 404.56608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C(=O)C=C)SN(C1=CC=CC=C1C)C(=O)CC(=O)C

Isomeric SMILES

CCCCCCCCN(C(=O)C=C)SN(C1=CC=CC=C1C)C(=O)CC(=O)C

InChI

InChI=1S/C22H32N2O3S/c1-5-7-8-9-10-13-16-23(21(26)6-2)28-24(22(27)17-19(4)25)20-15-12-11-14-18(20)3/h6,11-12,14-15H,2,5,7-10,13,16-17H2,1,3-4H3