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

Systemtic Name: (2R)-4-[(phenylmethyl)carbamothioyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-(benzylcarbamothioyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[[(phenylmethyl)amino]-sulfanylidenemethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-(benzylcarbamothioyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-(benzylthiocarbamoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CN(C2=CC=CC=C2O1)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O2S/c1-2-12-21-19(24)18-14-23(16-10-6-7-11-17(16)25-18)20(26)22-13-15-8-4-3-5-9-15/h3-11,18H,2,12-14H2,1H3,(H,21,24)(H,22,26)/t18-/m1/s1