methyl (2S)-4-[3-(dimethylamino)propylcarbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2S)-4-[3-(dimethylamino)propylcarbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2S)-4-[3-(dimethylamino)propylcarbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-[[3-(dimethylamino)propylamino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-4-[3-(dimethylamino)propylcarbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-4-[3-(dimethylamino)propylthiocarbamoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=S)N1CC(OC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

CN(C)CCCNC(=S)N1C[C@H](OC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C16H23N3O3S/c1-18(2)10-6-9-17-16(23)19-11-14(15(20)21-3)22-13-8-5-4-7-12(13)19/h4-5,7-8,14H,6,9-11H2,1-3H3,(H,17,23)/t14-/m0/s1