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

Systemtic Name: tert-butyl 5-(2-azanylethylcarbamothioylamino)-4-methyl-benzimidazole-1-carboxylate Openeye Name: tert-butyl 5-(2-aminoethylcarbamothioylamino)-4-methyl-benzimidazole-1-carboxylate CAS Name: 5-[[(2-aminoethylamino)-sulfanylidenemethyl]amino]-4-methyl-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(2-aminoethylcarbamothioylamino)-4-methylbenzimidazole-1-carboxylate Traditional Name: 5-(2-aminoethylthiocarbamoylamino)-4-methyl-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C16H23N5O2S MolecularWeight: 349.45112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=CN2C(=O)OC(C)(C)C)NC(=S)NCCN

Isomeric SMILES

CC1=C(C=CC2=C1N=CN2C(=O)OC(C)(C)C)NC(=S)NCCN

InChI

InChI=1S/C16H23N5O2S/c1-10-11(20-14(24)18-8-7-17)5-6-12-13(10)19-9-21(12)15(22)23-16(2,3)4/h5-6,9H,7-8,17H2,1-4H3,(H2,18,20,24)