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

Systemtic Name: tert-butyl 5-(2-azanylethylcarbamothioylamino)-2,4-dimethyl-benzimidazole-1-carboxylate Openeye Name: tert-butyl 5-(2-aminoethylcarbamothioylamino)-2,4-dimethyl-benzimidazole-1-carboxylate CAS Name: 5-[[(2-aminoethylamino)-sulfanylidenemethyl]amino]-2,4-dimethyl-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(2-aminoethylcarbamothioylamino)-2,4-dimethylbenzimidazole-1-carboxylate Traditional Name: 5-(2-aminoethylthiocarbamoylamino)-2,4-dimethyl-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C17H25N5O2S MolecularWeight: 363.4777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(N2C(=O)OC(C)(C)C)C)NC(=S)NCCN

Isomeric SMILES

CC1=C(C=CC2=C1N=C(N2C(=O)OC(C)(C)C)C)NC(=S)NCCN

InChI

InChI=1S/C17H25N5O2S/c1-10-12(21-15(25)19-9-8-18)6-7-13-14(10)20-11(2)22(13)16(23)24-17(3,4)5/h6-7H,8-9,18H2,1-5H3,(H2,19,21,25)