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

Systemtic Name: methyl 6-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[4-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[4-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O2S2/c1-26-19(25)9-3-2-6-14-22-21(27)23-16-12-10-15(11-13-16)20-24-17-7-4-5-8-18(17)28-20/h4-5,7-8,10-13H,2-3,6,9,14H2,1H3,(H2,22,23,27)