N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

Systemtic Name: N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[3-[[2-(1H-indol-3-yl)ethylamino]-oxomethyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC=C(O1)C(=O)NC2=CC=CC(=C2)C(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CSC=C(O1)C(=O)NC2=CC=CC(=C2)C(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O3S/c26-21(23-9-8-16-13-24-19-7-2-1-6-18(16)19)15-4-3-5-17(12-15)25-22(27)20-14-29-11-10-28-20/h1-7,12-14,24H,8-11H2,(H,23,26)(H,25,27)