[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-propyl-2-benzimidazolyl)thio]acetic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-propylbenzimidazol-2-yl)thio]acetic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)O[C@H](C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C18H24N4O4S/c1-4-9-22-13-8-6-5-7-12(13)20-18(22)27-10-14(23)26-15(11(2)3)16(24)21-17(19)25/h5-8,11,15H,4,9-10H2,1-3H3,(H3,19,21,24,25)/t15-/m1/s1