5-[[[methylsulfanyl-[(phenylmethyl)amino]methyl]amino]methyl]-1-(phenylmethyl)imidazole-4-carboxamide

Systemtic Name: 5-[[[methylsulfanyl-[(phenylmethyl)amino]methyl]amino]methyl]-1-(phenylmethyl)imidazole-4-carboxamide Openeye Name: 1-benzyl-5-[[[(benzylamino)-methylsulfanyl-methyl]amino]methyl]imidazole-4-carboxamide CAS Name: 5-[[[(methylthio)-[(phenylmethyl)amino]methyl]amino]methyl]-1-(phenylmethyl)-4-imidazolecarboxamide IUPAC Name: 1-benzyl-5-[[[(benzylamino)-methylsulfanylmethyl]amino]methyl]imidazole-4-carboxamide Traditional Name: 1-benzyl-5-[[[(benzylamino)-(methylthio)methyl]amino]methyl]imidazole-4-carboxamide Formula: C21H25N5OS MolecularWeight: 395.5211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(NCC1=CC=CC=C1)NCC2=C(N=CN2CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CSC(NCC1=CC=CC=C1)NCC2=C(N=CN2CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H25N5OS/c1-28-21(23-12-16-8-4-2-5-9-16)24-13-18-19(20(22)27)25-15-26(18)14-17-10-6-3-7-11-17/h2-11,15,21,23-24H,12-14H2,1H3,(H2,22,27)