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

Systemtic Name: N-[4-(cyclopropylcarbamoyl)phenyl]-6-[(2-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholine-3-carboxamide Openeye Name: N-[4-(cyclopropylcarbamoyl)phenyl]-6-[(2-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxamide CAS Name: N-[4-[(cyclopropylamino)-oxomethyl]phenyl]-6-[(2-fluorophenyl)methyl]-5-oxo-3-thiomorpholinecarboxamide IUPAC Name: N-[4-(cyclopropylcarbamoyl)phenyl]-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide Traditional Name: N-[4-(cyclopropylcarbamoyl)phenyl]-6-(2-fluorobenzyl)-5-keto-thiomorpholine-3-carboxamide Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=C(C=C2)NC(=O)C3CSC(C(=O)N3)CC4=CC=CC=C4F

Isomeric SMILES

C1CC1NC(=O)C2=CC=C(C=C2)NC(=O)C3CSC(C(=O)N3)CC4=CC=CC=C4F

InChI

InChI=1S/C22H22FN3O3S/c23-17-4-2-1-3-14(17)11-19-22(29)26-18(12-30-19)21(28)25-15-7-5-13(6-8-15)20(27)24-16-9-10-16/h1-8,16,18-19H,9-12H2,(H,24,27)(H,25,28)(H,26,29)