ethyl 4-[[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)amino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)amino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)amino]carbamothioylamino]benzoate CAS Name: 4-[[[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H19N5O3S2 MolecularWeight: 417.50516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

InChI=1S/C18H19N5O3S2/c1-4-26-16(25)11-5-7-12(8-6-11)19-18(27)23-22-17-20-14(24)13-9(2)10(3)28-15(13)21-17/h5-8H,4H2,1-3H3,(H2,19,23,27)(H2,20,21,22,24)