ethyl 2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]benzoate

Systemtic Name: ethyl 2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]benzoate Openeye Name: ethyl 2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]benzoate CAS Name: 2-[[[(6-phenyl-4-thieno[3,2-d]pyrimidinyl)hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]benzoate Traditional Name: 2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H19N5O2S2 MolecularWeight: 449.54856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=S)NNC2=NC=NC3=C2SC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=S)NNC2=NC=NC3=C2SC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H19N5O2S2/c1-2-29-21(28)15-10-6-7-11-16(15)25-22(30)27-26-20-19-17(23-13-24-20)12-18(31-19)14-8-4-3-5-9-14/h3-13H,2H2,1H3,(H,23,24,26)(H2,25,27,30)