4-[bis(azanyl)methylideneamino]-N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]benzamide

Systemtic Name: 4-[bis(azanyl)methylideneamino]-N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-guanidino-benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(diaminomethylideneamino)benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(diaminomethylideneamino)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-guanidino-benzamide Formula: C16H22N6O2 MolecularWeight: 330.38488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O2/c1-10(2)9-13(15(24)20-8-7-17)22-14(23)11-3-5-12(6-4-11)21-16(18)19/h3-6,10,13H,8-9H2,1-2H3,(H,20,24)(H,22,23)(H4,18,19,21)