N-[1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxidanylidene-pentan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxidanylidene-pentan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[1-[[(1S)-1-(1,3-benzoxazole-2-carbonyl)butyl]carbamoyl]cyclohexyl]benzothiophene-2-carboxamide CAS Name: N-[1-[[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]amino]-oxomethyl]cyclohexyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[1-[[(1S)-1-(1,3-benzoxazole-2-carbonyl)butyl]carbamoyl]cyclohexyl]benzothiophene-2-carboxamide Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1=NC2=CC=CC=C2O1)NC(=O)C3(CCCCC3)NC(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

CCC[C@@H](C(=O)C1=NC2=CC=CC=C2O1)NC(=O)C3(CCCCC3)NC(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C28H29N3O4S/c1-2-10-20(24(32)26-29-19-12-5-6-13-21(19)35-26)30-27(34)28(15-8-3-9-16-28)31-25(33)23-17-18-11-4-7-14-22(18)36-23/h4-7,11-14,17,20H,2-3,8-10,15-16H2,1H3,(H,30,34)(H,31,33)/t20-/m0/s1