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

Systemtic Name: methyl 4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(2-morpholino-1,3-benzothiazol-6-yl)carbamothioylamino]butanoate CAS Name: 4-[[[[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)carbamothioylamino]butanoate Traditional Name: 4-[(2-morpholino-1,3-benzothiazol-6-yl)thiocarbamoylamino]butyric acid methyl ester Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S2/c1-23-15(22)3-2-6-18-16(25)19-12-4-5-13-14(11-12)26-17(20-13)21-7-9-24-10-8-21/h4-5,11H,2-3,6-10H2,1H3,(H2,18,19,25)