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

Systemtic Name: (2S)-4-(butylcarbamothioyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-(butylcarbamothioyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[butylamino(sulfanylidene)methyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-(butylcarbamothioyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-(butylthiocarbamoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-3-5-11-19-17(23)20-12-15(16(21)18-10-4-2)22-14-9-7-6-8-13(14)20/h6-9,15H,3-5,10-12H2,1-2H3,(H,18,21)(H,19,23)/t15-/m0/s1