N-[3-[(2-azanyl-3H-benzimidazol-5-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]-5-ethyl-thiophene-3-carboxamide

Systemtic Name: N-[3-[(2-azanyl-3H-benzimidazol-5-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]-5-ethyl-thiophene-3-carboxamide Openeye Name: N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenyl-propyl]-5-ethyl-thiophene-3-carboxamide CAS Name: N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-5-ethyl-3-thiophenecarboxamide IUPAC Name: N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-5-ethylthiophene-3-carboxamide Traditional Name: N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-keto-1-phenyl-propyl]-5-ethyl-thiophene-3-carboxamide Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CS1)C(=O)NC(C2=CC=CC=C2)C(C(=O)NC3=CC4=C(C=C3)N=C(N4)N)O

Isomeric SMILES

CCC1=CC(=CS1)C(=O)NC(C2=CC=CC=C2)C(C(=O)NC3=CC4=C(C=C3)N=C(N4)N)O

InChI

InChI=1S/C23H23N5O3S/c1-2-16-10-14(12-32-16)21(30)28-19(13-6-4-3-5-7-13)20(29)22(31)25-15-8-9-17-18(11-15)27-23(24)26-17/h3-12,19-20,29H,2H2,1H3,(H,25,31)(H,28,30)(H3,24,26,27)