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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C(=O)C=C)SN(CC1=CC=CC=C1)C(=O)CC(=O)C

Isomeric SMILES

CCCCCCCCN(C(=O)C=C)SN(CC1=CC=CC=C1)C(=O)CC(=O)C

InChI

InChI=1S/C22H32N2O3S/c1-4-6-7-8-9-13-16-23(21(26)5-2)28-24(22(27)17-19(3)25)18-20-14-11-10-12-15-20/h5,10-12,14-15H,2,4,6-9,13,16-18H2,1,3H3