(2S)-4-[[(2S)-2-ethylhexyl]carbamothioyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-[[(2S)-2-ethylhexyl]carbamothioyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-[[(2S)-2-ethylhexyl]carbamothioyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[[[(2S)-2-ethylhexyl]amino]-sulfanylidenemethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-[[(2S)-2-ethylhexyl]carbamothioyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-[[(2S)-2-ethylhexyl]thiocarbamoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H33N3O2S MolecularWeight: 391.57062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)N1CC(OC2=CC=CC=C21)C(=O)NCCC

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O2S/c1-4-7-10-16(6-3)14-23-21(27)24-15-19(20(25)22-13-5-2)26-18-12-9-8-11-17(18)24/h8-9,11-12,16,19H,4-7,10,13-15H2,1-3H3,(H,22,25)(H,23,27)/t16-,19-/m0/s1