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

Systemtic Name: (2R)-4-[(3-ethylphenyl)carbamothioyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[(3-ethylphenyl)carbamothioyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[(3-ethylanilino)-sulfanylidenemethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[(3-ethylphenyl)carbamothioyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[(3-ethylphenyl)thiocarbamoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-3-12-22-20(25)19-14-24(17-10-5-6-11-18(17)26-19)21(27)23-16-9-7-8-15(4-2)13-16/h5-11,13,19H,3-4,12,14H2,1-2H3,(H,22,25)(H,23,27)/t19-/m1/s1