6-methyl-N-[2-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide

Systemtic Name: 6-methyl-N-[2-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide Openeye Name: 6-methyl-N-[2-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide CAS Name: 6-methyl-N-[2-[[[4-(methylthio)phenyl]methylamino]-oxomethyl]phenyl]-2,3-dihydro-1,4-oxathiin-5-carboxamide IUPAC Name: 6-methyl-N-[2-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide Traditional Name: 6-methyl-N-[2-[[4-(methylthio)benzyl]carbamoyl]phenyl]-2,3-dihydro-1,4-oxathiin-5-carboxamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SCCO1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(SCCO1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H22N2O3S2/c1-14-19(28-12-11-26-14)21(25)23-18-6-4-3-5-17(18)20(24)22-13-15-7-9-16(27-2)10-8-15/h3-10H,11-13H2,1-2H3,(H,22,24)(H,23,25)