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

Systemtic Name: (2S)-4-[(3-ethylphenyl)carbamothioyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-[(3-ethylphenyl)carbamothioyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[(3-ethylanilino)-sulfanylidenemethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-[(3-ethylphenyl)carbamothioyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-[(3-ethylphenyl)thiocarbamoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CC(OC3=CC=CC=C32)C(=O)NC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2C[C@H](OC3=CC=CC=C32)C(=O)NC

InChI

InChI=1S/C19H21N3O2S/c1-3-13-7-6-8-14(11-13)21-19(25)22-12-17(18(23)20-2)24-16-10-5-4-9-15(16)22/h4-11,17H,3,12H2,1-2H3,(H,20,23)(H,21,25)/t17-/m0/s1