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

Systemtic Name: ethyl 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoylamino]butyric acid ethyl ester Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C

InChI

InChI=1S/C21H21N3O3S2/c1-3-27-19(26)11-10-18(25)24-21(28)22-15-7-5-14(6-8-15)20-23-16-9-4-13(2)12-17(16)29-20/h4-9,12H,3,10-11H2,1-2H3,(H2,22,24,25,28)