N-[3-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]phenyl]adamantane-1-carboxamide Formula: C27H30N4O3S MolecularWeight: 490.6171

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=CC(=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=CC(=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H30N4O3S/c1-34-21-5-6-22-23(11-21)31-26(30-22)35-15-24(32)28-19-3-2-4-20(10-19)29-25(33)27-12-16-7-17(13-27)9-18(8-16)14-27/h2-6,10-11,16-18H,7-9,12-15H2,1H3,(H,28,32)(H,29,33)(H,30,31)