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

Systemtic Name: N-[3-[(4-ethylphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[3-[(4-ethylphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[3-[[(4-ethylphenyl)methylamino]-oxomethyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[3-[(4-ethylphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[3-[(4-ethylbenzyl)carbamoyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CSCCO3

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CSCCO3

InChI

InChI=1S/C21H22N2O3S/c1-2-15-6-8-16(9-7-15)13-22-20(24)17-4-3-5-18(12-17)23-21(25)19-14-27-11-10-26-19/h3-9,12,14H,2,10-11,13H2,1H3,(H,22,24)(H,23,25)