(2R)-4-[(2,5-dimethylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[(2,5-dimethylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[(2,5-dimethylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[(2,5-dimethylanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[(2,5-dimethylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[(2,5-dimethylphenyl)thiocarbamoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S/c1-11-7-8-12(2)13(9-11)20-18(24)21-10-16(17(19)22)23-15-6-4-3-5-14(15)21/h3-9,16H,10H2,1-2H3,(H2,19,22)(H,20,24)/t16-/m1/s1