N-[1-azanyl-3-(2,4-ditert-butylphenyl)sulfanyl-1-oxidanylidene-propan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[1-azanyl-3-(2,4-ditert-butylphenyl)sulfanyl-1-oxidanylidene-propan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[2-amino-1-[(2,4-ditert-butylphenyl)sulfanylmethyl]-2-oxo-ethyl]-2-(4-pyridyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[1-amino-3-[(2,4-ditert-butylphenyl)thio]-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide IUPAC Name: N-[1-amino-3-(2,4-ditert-butylphenyl)sulfanyl-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[2-amino-1-[[(2,4-ditert-butylphenyl)thio]methyl]-2-keto-ethyl]-2-(4-pyridyl)-3H-benzimidazole-5-carboxamide Formula: C30H35N5O2S MolecularWeight: 529.6962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N5O2S/c1-29(2,3)20-8-10-25(21(16-20)30(4,5)6)38-17-24(26(31)36)35-28(37)19-7-9-22-23(15-19)34-27(33-22)18-11-13-32-14-12-18/h7-16,24H,17H2,1-6H3,(H2,31,36)(H,33,34)(H,35,37)