methyl N,N'-bis[1-[(4-methylphenyl)methyl]imidazol-4-yl]carbamimidothioate

Systemtic Name: methyl N,N'-bis[1-[(4-methylphenyl)methyl]imidazol-4-yl]carbamimidothioate Openeye Name: 2-methyl-1,3-bis[1-(p-tolylmethyl)imidazol-4-yl]isothiourea CAS Name: N,N'-bis[1-[(4-methylphenyl)methyl]-4-imidazolyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N,N'-bis[1-[(4-methylphenyl)methyl]imidazol-4-yl]carbamimidothioate Traditional Name: 2-methyl-1,3-bis[1-(4-methylbenzyl)imidazol-4-yl]isothiourea Formula: C24H26N6S MolecularWeight: 430.56844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(N=C2)NC(=NC3=CN(C=N3)CC4=CC=C(C=C4)C)SC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(N=C2)NC(=NC3=CN(C=N3)CC4=CC=C(C=C4)C)SC

InChI

InChI=1S/C24H26N6S/c1-18-4-8-20(9-5-18)12-29-14-22(25-16-29)27-24(31-3)28-23-15-30(17-26-23)13-21-10-6-19(2)7-11-21/h4-11,14-17H,12-13H2,1-3H3,(H,27,28)