3-(ethylamino)-5-(2-oxidanylidenepyrrolidin-1-yl)-N-[3-oxidanyl-1-phenyl-4-(thian-4-ylamino)butan-2-yl]benzamide

Systemtic Name: 3-(ethylamino)-5-(2-oxidanylidenepyrrolidin-1-yl)-N-[3-oxidanyl-1-phenyl-4-(thian-4-ylamino)butan-2-yl]benzamide Openeye Name: N-[1-benzyl-2-hydroxy-3-(tetrahydrothiopyran-4-ylamino)propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide CAS Name: 3-(ethylamino)-N-[3-hydroxy-1-phenyl-4-(4-thianylamino)butan-2-yl]-5-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: 3-(ethylamino)-N-[3-hydroxy-1-phenyl-4-(thian-4-ylamino)butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: N-[1-benzyl-2-hydroxy-3-(tetrahydrothiopyran-4-ylamino)propyl]-3-(ethylamino)-5-(2-ketopyrrolidino)benzamide Formula: C28H38N4O3S MolecularWeight: 510.69132

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC(=CC(=C1)N2CCCC2=O)C(=O)NC(CC3=CC=CC=C3)C(CNC4CCSCC4)O

Isomeric SMILES

CCNC1=CC(=CC(=C1)N2CCCC2=O)C(=O)NC(CC3=CC=CC=C3)C(CNC4CCSCC4)O

InChI

InChI=1S/C28H38N4O3S/c1-2-29-23-16-21(17-24(18-23)32-12-6-9-27(32)34)28(35)31-25(15-20-7-4-3-5-8-20)26(33)19-30-22-10-13-36-14-11-22/h3-5,7-8,16-18,22,25-26,29-30,33H,2,6,9-15,19H2,1H3,(H,31,35)