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

Systemtic Name: N-[5-[(4-dimethylaminophenyl)methylcarbamoyl]-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[5-[(4-dimethylaminophenyl)methylcarbamoyl]-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[5-[[(4-dimethylaminophenyl)methylamino]-oxomethyl]-2-methylphenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[5-[(4-dimethylaminophenyl)methylcarbamoyl]-2-methylphenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[5-[[4-(dimethylamino)benzyl]carbamoyl]-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)N(C)C)NC(=O)C3=CSCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)N(C)C)NC(=O)C3=CSCCO3

InChI

InChI=1S/C22H25N3O3S/c1-15-4-7-17(12-19(15)24-22(27)20-14-29-11-10-28-20)21(26)23-13-16-5-8-18(9-6-16)25(2)3/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,26)(H,24,27)