N-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioyl]furan-2-carboxamide CAS Name: N-[[(6-phenyl-4-thieno[3,2-d]pyrimidinyl)hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]thiocarbamoyl]-2-furamide Formula: C18H13N5O2S2 MolecularWeight: 395.45812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(S2)C(=NC=N3)NNC(=S)NC(=O)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(S2)C(=NC=N3)NNC(=S)NC(=O)C4=CC=CO4

InChI

InChI=1S/C18H13N5O2S2/c24-17(13-7-4-8-25-13)21-18(26)23-22-16-15-12(19-10-20-16)9-14(27-15)11-5-2-1-3-6-11/h1-10H,(H,19,20,22)(H2,21,23,24,26)