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

Systemtic Name: 5-[(methylcarbamothioylamino)methyl]-1-(phenylmethyl)imidazole-4-carboxamide Openeye Name: 1-benzyl-5-[(methylcarbamothioylamino)methyl]imidazole-4-carboxamide CAS Name: 5-[[[methylamino(sulfanylidene)methyl]amino]methyl]-1-(phenylmethyl)-4-imidazolecarboxamide IUPAC Name: 1-benzyl-5-[(methylcarbamothioylamino)methyl]imidazole-4-carboxamide Traditional Name: 1-benzyl-5-[(methylthiocarbamoylamino)methyl]imidazole-4-carboxamide Formula: C14H17N5OS MolecularWeight: 303.38268

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NCC1=C(N=CN1CC2=CC=CC=C2)C(=O)N

Isomeric SMILES

CNC(=S)NCC1=C(N=CN1CC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C14H17N5OS/c1-16-14(21)17-7-11-12(13(15)20)18-9-19(11)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,15,20)(H2,16,17,21)