N-[(2-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[(2-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(2-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[(2-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)amino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(2-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(4-keto-2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiocarbamoyl]adamantane-1-carboxamide Formula: C25H26N4O2S2 MolecularWeight: 478.62954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1NC(=S)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1NC(=S)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H26N4O2S2/c1-14-26-21-20(19(13-33-21)18-5-3-2-4-6-18)22(30)29(14)28-24(32)27-23(31)25-10-15-7-16(11-25)9-17(8-15)12-25/h2-6,13,15-17H,7-12H2,1H3,(H2,27,28,31,32)