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

Systemtic Name: N-[octyl(prop-2-enoyl)amino]sulfanyl-3-oxidanylidene-N-phenyl-butanamide Openeye Name: N-[octyl(prop-2-enoyl)amino]sulfanyl-3-oxo-N-phenyl-butanamide CAS Name: N-[[octyl(1-oxoprop-2-enyl)amino]thio]-3-oxo-N-phenylbutanamide IUPAC Name: N-[octyl(prop-2-enoyl)amino]sulfanyl-3-oxo-N-phenylbutanamide Traditional Name: N-[[acryloyl(octyl)amino]thio]-3-keto-N-phenyl-butyramide Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3S/c1-4-6-7-8-9-13-16-22(20(25)5-2)27-23(21(26)17-18(3)24)19-14-11-10-12-15-19/h5,10-12,14-15H,2,4,6-9,13,16-17H2,1,3H3