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

Systemtic Name: N-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]carbamothioyl]butanamide Openeye Name: N-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]carbamothioyl]butanamide CAS Name: N-[[2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenyl]carbamothioyl]butanamide Traditional Name: N-[[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]phenyl]thiocarbamoyl]butyramide Formula: C23H20N4OS3 MolecularWeight: 464.6261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4OS3/c1-2-8-19(28)27-23(29)26-17-11-6-7-12-18(17)31-22-20-16(15-9-4-3-5-10-15)13-30-21(20)24-14-25-22/h3-7,9-14H,2,8H2,1H3,(H2,26,27,28,29)