N-[3-[(4-butoxyphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

Systemtic Name: N-[3-[(4-butoxyphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[3-[(4-butoxyphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[3-[[(4-butoxyphenyl)methylamino]-oxomethyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[3-[(4-butoxyphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[3-[(4-butoxybenzyl)carbamoyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CSCCO3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CSCCO3

InChI

InChI=1S/C23H26N2O4S/c1-2-3-11-28-20-9-7-17(8-10-20)15-24-22(26)18-5-4-6-19(14-18)25-23(27)21-16-30-13-12-29-21/h4-10,14,16H,2-3,11-13,15H2,1H3,(H,24,26)(H,25,27)