4-(2-cyanoethanoylamino)-N-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: 4-(2-cyanoethanoylamino)-N-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: 4-[(2-cyanoacetyl)amino]-N-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]benzamide CAS Name: 4-[(2-cyano-1-oxoethyl)amino]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide IUPAC Name: 4-[(2-cyanoacetyl)amino]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide Traditional Name: 4-[(2-cyanoacetyl)amino]-N-[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]benzamide Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)C1=CC=C(C=C1)NC(=O)CC#N

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)C1=CC=C(C=C1)NC(=O)CC#N

InChI

InChI=1S/C15H18N4O3/c1-3-17-14(21)10(2)18-15(22)11-4-6-12(7-5-11)19-13(20)8-9-16/h4-7,10H,3,8H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)/t10-/m0/s1