(2S)-4-(butylcarbamothioyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-(butylcarbamothioyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-(butylcarbamothioyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[butylamino(sulfanylidene)methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-(butylcarbamothioyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-(butylthiocarbamoyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CC(OC2=CC=CC=C21)C(=O)NC

Isomeric SMILES

CCCCNC(=S)N1C[C@H](OC2=CC=CC=C21)C(=O)NC

InChI

InChI=1S/C15H21N3O2S/c1-3-4-9-17-15(21)18-10-13(14(19)16-2)20-12-8-6-5-7-11(12)18/h5-8,13H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,21)/t13-/m0/s1