ethyl 2-[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(1R)-1-allophanoyl-2-methyl-propyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[(1R)-1-allophanoyl-2-methyl-propyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1S[C@H](C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C18H24N4O4S/c1-5-22-13-8-7-11(16(24)26-6-2)9-12(13)20-18(22)27-14(10(3)4)15(23)21-17(19)25/h7-10,14H,5-6H2,1-4H3,(H3,19,21,23,25)/t14-/m1/s1