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

Systemtic Name: N-[3-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-[[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]amino]phenyl]adamantane-1-carboxamide Formula: C27H30N4O2S MolecularWeight: 474.6177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=CC(=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=CC(=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H30N4O2S/c1-16-5-6-22-23(7-16)31-26(30-22)34-15-24(32)28-20-3-2-4-21(11-20)29-25(33)27-12-17-8-18(13-27)10-19(9-17)14-27/h2-7,11,17-19H,8-10,12-15H2,1H3,(H,28,32)(H,29,33)(H,30,31)