methyl 6-[[(2R)-2-(propylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[(2R)-2-(propylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[(2R)-2-(propylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]hexanoate CAS Name: 6-[[[(2R)-2-[oxo(propylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2R)-2-(propylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]hexanoate Traditional Name: 6-[[(2R)-2-(propylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]hexanoic acid methyl ester Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4S/c1-3-12-21-19(25)17-14-23(15-9-6-7-10-16(15)27-17)20(28)22-13-8-4-5-11-18(24)26-2/h6-7,9-10,17H,3-5,8,11-14H2,1-2H3,(H,21,25)(H,22,28)/t17-/m1/s1