N-[(2S)-3-methyl-1-[2-[(3-methyl-1-benzofuran-2-yl)carbonyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[(2S)-3-methyl-1-[2-[(3-methyl-1-benzofuran-2-yl)carbonyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide Openeye Name: N-[(1S)-2-methyl-1-[[(3-methylbenzofuran-2-carbonyl)amino]carbamoyl]propyl]cyclohexanecarboxamide CAS Name: N-[(2S)-3-methyl-1-[[(3-methyl-2-benzofuranyl)-oxomethyl]hydrazo]-1-oxobutan-2-yl]cyclohexanecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-1-oxobutan-2-yl]cyclohexanecarboxamide Traditional Name: N-[(1S)-2-methyl-1-[[(3-methylbenzofuran-2-carbonyl)amino]carbamoyl]propyl]cyclohexanecarboxamide Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)C(C(C)C)NC(=O)C3CCCCC3

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=O)[C@H](C(C)C)NC(=O)C3CCCCC3

InChI

InChI=1S/C22H29N3O4/c1-13(2)18(23-20(26)15-9-5-4-6-10-15)21(27)24-25-22(28)19-14(3)16-11-7-8-12-17(16)29-19/h7-8,11-13,15,18H,4-6,9-10H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)/t18-/m0/s1