(2S)-4-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-[(3-fluoro-4-methyl-phenyl)carbamothioyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-[(3-fluoro-4-methylphenyl)carbamothioyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-[(3-fluoro-4-methyl-phenyl)thiocarbamoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C18H18FN3O2S MolecularWeight: 359.417823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CC(OC3=CC=CC=C32)C(=O)NC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2C[C@H](OC3=CC=CC=C32)C(=O)NC)F

InChI

InChI=1S/C18H18FN3O2S/c1-11-7-8-12(9-13(11)19)21-18(25)22-10-16(17(23)20-2)24-15-6-4-3-5-14(15)22/h3-9,16H,10H2,1-2H3,(H,20,23)(H,21,25)/t16-/m0/s1