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

Systemtic Name: (2R)-4-[(4-methoxyphenyl)methylcarbamothioyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[(4-methoxyphenyl)methylcarbamothioyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[(4-methoxyphenyl)methylcarbamothioyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-(p-anisylthiocarbamoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-3-12-22-20(25)19-14-24(17-6-4-5-7-18(17)27-19)21(28)23-13-15-8-10-16(26-2)11-9-15/h4-11,19H,3,12-14H2,1-2H3,(H,22,25)(H,23,28)/t19-/m1/s1