3-(aminocarbonylamino)-N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]benzamide

Systemtic Name: 3-(aminocarbonylamino)-N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-3-ureido-benzamide CAS Name: 3-(carbamoylamino)-N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide IUPAC Name: 3-(carbamoylamino)-N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-3-ureido-benzamide Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O3/c1-10(2)8-13(15(23)19-7-6-17)21-14(22)11-4-3-5-12(9-11)20-16(18)24/h3-5,9-10,13H,7-8H2,1-2H3,(H,19,23)(H,21,22)(H3,18,20,24)