N-[1-oxidanylidene-3-phenylsulfanyl-1-(3-propan-2-yloxypropylamino)propan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[1-oxidanylidene-3-phenylsulfanyl-1-(3-propan-2-yloxypropylamino)propan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[2-(3-isopropoxypropylamino)-2-oxo-1-(phenylsulfanylmethyl)ethyl]-2-(4-pyridyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[1-oxo-3-(phenylthio)-1-(3-propan-2-yloxypropylamino)propan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide IUPAC Name: N-[1-oxo-3-phenylsulfanyl-1-(3-propan-2-yloxypropylamino)propan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[2-(3-isopropoxypropylamino)-2-keto-1-[(phenylthio)methyl]ethyl]-2-(4-pyridyl)-3H-benzimidazole-5-carboxamide Formula: C28H31N5O3S MolecularWeight: 517.64244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C(CSC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

Isomeric SMILES

CC(C)OCCCNC(=O)C(CSC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C28H31N5O3S/c1-19(2)36-16-6-13-30-28(35)25(18-37-22-7-4-3-5-8-22)33-27(34)21-9-10-23-24(17-21)32-26(31-23)20-11-14-29-15-12-20/h3-5,7-12,14-15,17,19,25H,6,13,16,18H2,1-2H3,(H,30,35)(H,31,32)(H,33,34)