N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-oxidanylidene-benzimidazole-1-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-oxidanylidene-benzimidazole-1-carboxamide Openeye Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-oxo-benzimidazole-1-carboxamide CAS Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-oxo-1-benzimidazolecarboxamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-oxobenzimidazole-1-carboxamide Traditional Name: N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-2-keto-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzimidazole-1-carboxamide Formula: C21H20N6O3S MolecularWeight: 436.4869

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)CN2C3=CC=CC=C3N(C2=O)C(=O)NC(CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

CC1=NN=C(S1)CN2C3=CC=CC=C3N(C2=O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C21H20N6O3S/c1-13-24-25-18(31-13)12-26-16-9-5-6-10-17(16)27(21(26)30)20(29)23-15(19(22)28)11-14-7-3-2-4-8-14/h2-10,15H,11-12H2,1H3,(H2,22,28)(H,23,29)/t15-/m0/s1