(2R)-4-(cyclohexylcarbamothioyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-(cyclohexylcarbamothioyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-(cyclohexylcarbamothioyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[(cyclohexylamino)-sulfanylidenemethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-(cyclohexylcarbamothioyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-(cyclohexylthiocarbamoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C19H27N3O2S MolecularWeight: 361.50158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CN(C2=CC=CC=C2O1)C(=S)NC3CCCCC3

Isomeric SMILES

CCCNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=S)NC3CCCCC3

InChI

InChI=1S/C19H27N3O2S/c1-2-12-20-18(23)17-13-22(15-10-6-7-11-16(15)24-17)19(25)21-14-8-4-3-5-9-14/h6-7,10-11,14,17H,2-5,8-9,12-13H2,1H3,(H,20,23)(H,21,25)/t17-/m1/s1