tert-butyl 5-(2-azanylethylcarbamothioylamino)-7-fluoranyl-4-methyl-benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 5-(2-azanylethylcarbamothioylamino)-7-fluoranyl-4-methyl-benzimidazole-1-carboxylate Openeye Name: tert-butyl 5-(2-aminoethylcarbamothioylamino)-7-fluoro-4-methyl-benzimidazole-1-carboxylate CAS Name: 5-[[(2-aminoethylamino)-sulfanylidenemethyl]amino]-7-fluoro-4-methyl-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(2-aminoethylcarbamothioylamino)-7-fluoro-4-methylbenzimidazole-1-carboxylate Traditional Name: 5-(2-aminoethylthiocarbamoylamino)-7-fluoro-4-methyl-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C16H22FN5O2S MolecularWeight: 367.441583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1NC(=S)NCCN)F)N(C=N2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C(=C(C=C1NC(=S)NCCN)F)N(C=N2)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H22FN5O2S/c1-9-11(21-14(25)19-6-5-18)7-10(17)13-12(9)20-8-22(13)15(23)24-16(2,3)4/h7-8H,5-6,18H2,1-4H3,(H2,19,21,25)