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

Systemtic Name: 3-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]benzoic acid Openeye Name: 3-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]benzoic acid CAS Name: 3-[[[(6-phenyl-4-thieno[3,2-d]pyrimidinyl)hydrazo]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]benzoic acid Traditional Name: 3-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]thiocarbamoylamino]benzoic acid Formula: C20H15N5O2S2 MolecularWeight: 421.4954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(S2)C(=NC=N3)NNC(=S)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(S2)C(=NC=N3)NNC(=S)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C20H15N5O2S2/c26-19(27)13-7-4-8-14(9-13)23-20(28)25-24-18-17-15(21-11-22-18)10-16(29-17)12-5-2-1-3-6-12/h1-11H,(H,26,27)(H,21,22,24)(H2,23,25,28)