N-[4-(dimethylcarbamoyl)phenyl]-6-[(2-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholine-3-carboxamide

Systemtic Name: N-[4-(dimethylcarbamoyl)phenyl]-6-[(2-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholine-3-carboxamide Openeye Name: N-[4-(dimethylcarbamoyl)phenyl]-6-[(2-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxamide CAS Name: N-[4-[dimethylamino(oxo)methyl]phenyl]-6-[(2-fluorophenyl)methyl]-5-oxo-3-thiomorpholinecarboxamide IUPAC Name: N-[4-(dimethylcarbamoyl)phenyl]-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide Traditional Name: N-[4-(dimethylcarbamoyl)phenyl]-6-(2-fluorobenzyl)-5-keto-thiomorpholine-3-carboxamide Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C2CSC(C(=O)N2)CC3=CC=CC=C3F

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C2CSC(C(=O)N2)CC3=CC=CC=C3F

InChI

InChI=1S/C21H22FN3O3S/c1-25(2)21(28)13-7-9-15(10-8-13)23-19(26)17-12-29-18(20(27)24-17)11-14-5-3-4-6-16(14)22/h3-10,17-18H,11-12H2,1-2H3,(H,23,26)(H,24,27)