N-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]carbamothioyl]propanamide

Systemtic Name: N-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]carbamothioyl]propanamide Openeye Name: N-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]carbamothioyl]propanamide CAS Name: N-[[2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]carbamothioyl]propanamide Traditional Name: N-[[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]phenyl]thiocarbamoyl]propionamide Formula: C22H18N4OS3 MolecularWeight: 450.59952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=CC=C1SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=CC=C1SC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H18N4OS3/c1-2-18(27)26-22(28)25-16-10-6-7-11-17(16)30-21-19-15(14-8-4-3-5-9-14)12-29-20(19)23-13-24-21/h3-13H,2H2,1H3,(H2,25,26,27,28)