1-(2-hydroxyethyl)-5-[[(triphenylmethyl)carbamothioylamino]methyl]imidazole-4-carboxamide

Systemtic Name: 1-(2-hydroxyethyl)-5-[[(triphenylmethyl)carbamothioylamino]methyl]imidazole-4-carboxamide Openeye Name: 1-(2-hydroxyethyl)-5-[(tritylcarbamothioylamino)methyl]imidazole-4-carboxamide CAS Name: 1-(2-hydroxyethyl)-5-[[[sulfanylidene-[(triphenylmethyl)amino]methyl]amino]methyl]-4-imidazolecarboxamide IUPAC Name: 1-(2-hydroxyethyl)-5-[(tritylcarbamothioylamino)methyl]imidazole-4-carboxamide Traditional Name: 1-(2-hydroxyethyl)-5-[(tritylthiocarbamoylamino)methyl]imidazole-4-carboxamide Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=S)NCC4=C(N=CN4CCO)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=S)NCC4=C(N=CN4CCO)C(=O)N

InChI

InChI=1S/C27H27N5O2S/c28-25(34)24-23(32(16-17-33)19-30-24)18-29-26(35)31-27(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,19,33H,16-18H2,(H2,28,34)(H2,29,31,35)