N-(tert-butylcarbamoyl)-N-[4-(3-methylbutylamino)-3-oxidanyl-1-phenyl-butan-2-yl]thiane-3-carboxamide

Systemtic Name: N-(tert-butylcarbamoyl)-N-[4-(3-methylbutylamino)-3-oxidanyl-1-phenyl-butan-2-yl]thiane-3-carboxamide Openeye Name: N-[1-benzyl-2-hydroxy-3-(isopentylamino)propyl]-N-(tert-butylcarbamoyl)tetrahydrothiopyran-3-carboxamide CAS Name: N-[(tert-butylamino)-oxomethyl]-N-[3-hydroxy-4-(3-methylbutylamino)-1-phenylbutan-2-yl]-3-thianecarboxamide IUPAC Name: N-(tert-butylcarbamoyl)-N-[3-hydroxy-4-(3-methylbutylamino)-1-phenylbutan-2-yl]thiane-3-carboxamide Traditional Name: N-[1-benzyl-2-hydroxy-3-(isoamylamino)propyl]-N-(tert-butylcarbamoyl)tetrahydrothiopyran-3-carboxamide Formula: C26H43N3O3S MolecularWeight: 477.70292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC(C(CC1=CC=CC=C1)N(C(=O)C2CCCSC2)C(=O)NC(C)(C)C)O

Isomeric SMILES

CC(C)CCNCC(C(CC1=CC=CC=C1)N(C(=O)C2CCCSC2)C(=O)NC(C)(C)C)O

InChI

InChI=1S/C26H43N3O3S/c1-19(2)13-14-27-17-23(30)22(16-20-10-7-6-8-11-20)29(25(32)28-26(3,4)5)24(31)21-12-9-15-33-18-21/h6-8,10-11,19,21-23,27,30H,9,12-18H2,1-5H3,(H,28,32)