N-[4-(tert-butylcarbamoyl)phenyl]-2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide

Systemtic Name: N-[4-(tert-butylcarbamoyl)phenyl]-2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide Openeye Name: N-[4-(tert-butylcarbamoyl)phenyl]-2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-[4-[(tert-butylamino)-oxomethyl]phenyl]-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]benzamide IUPAC Name: N-[4-(tert-butylcarbamoyl)phenyl]-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide Traditional Name: N-[4-(tert-butylcarbamoyl)phenyl]-2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]benzamide Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3

InChI

InChI=1S/C27H35N3O3S/c1-27(2,3)30-25(32)20-13-15-21(16-14-20)29-26(33)22-11-7-8-12-23(22)34-18-24(31)28-17-19-9-5-4-6-10-19/h7-8,11-16,19H,4-6,9-10,17-18H2,1-3H3,(H,28,31)(H,29,33)(H,30,32)