(2R)-4-[(3-bromophenyl)carbamothioyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[(3-bromophenyl)carbamothioyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[(3-bromophenyl)carbamothioyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[(3-bromoanilino)-sulfanylidenemethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[(3-bromophenyl)carbamothioyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[(3-bromophenyl)thiocarbamoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

CNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H16BrN3O2S/c1-19-16(22)15-10-21(13-7-2-3-8-14(13)23-15)17(24)20-12-6-4-5-11(18)9-12/h2-9,15H,10H2,1H3,(H,19,22)(H,20,24)/t15-/m1/s1