methyl 6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2-morpholino-1,3-benzothiazol-6-yl)carbamothioylamino]hexanoate CAS Name: 6-[[[[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)carbamothioylamino]hexanoate Traditional Name: 6-[(2-morpholino-1,3-benzothiazol-6-yl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H26N4O3S2 MolecularWeight: 422.56474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC2=C(C=C1)N=C(S2)N3CCOCC3

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC2=C(C=C1)N=C(S2)N3CCOCC3

InChI

InChI=1S/C19H26N4O3S2/c1-25-17(24)5-3-2-4-8-20-18(27)21-14-6-7-15-16(13-14)28-19(22-15)23-9-11-26-12-10-23/h6-7,13H,2-5,8-12H2,1H3,(H2,20,21,27)