tert-butyl N-[N'-(3-imidazol-1-ylpropyl)-N-[4-[(5-methyl-2-oxidanylidene-1,3-dihydroimidazol-4-yl)carbonyl]phenyl]carbamimidoyl]carbamate

Systemtic Name: tert-butyl N-[N'-(3-imidazol-1-ylpropyl)-N-[4-[(5-methyl-2-oxidanylidene-1,3-dihydroimidazol-4-yl)carbonyl]phenyl]carbamimidoyl]carbamate Openeye Name: tert-butyl N-[N'-(3-imidazol-1-ylpropyl)-N-[4-(5-methyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]carbamimidoyl]carbamate CAS Name: N-[3-(1-imidazolyl)propylimino-[4-[(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)-oxomethyl]anilino]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[N'-(3-imidazol-1-ylpropyl)-N-[4-(5-methyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)phenyl]carbamimidoyl]carbamate Traditional Name: N-[N'-(3-imidazol-1-ylpropyl)-N-[4-(2-keto-5-methyl-4-imidazoline-4-carbonyl)phenyl]amidino]carbamic acid tert-butyl ester Formula: C23H29N7O4 MolecularWeight: 467.52086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)NC(=NCCCN3C=CN=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)NC(=NCCCN3C=CN=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H29N7O4/c1-15-18(28-21(32)26-15)19(31)16-6-8-17(9-7-16)27-20(29-22(33)34-23(2,3)4)25-10-5-12-30-13-11-24-14-30/h6-9,11,13-14H,5,10,12H2,1-4H3,(H2,26,28,32)(H2,25,27,29,33)