N-cyclooctyl-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-cyclooctyl-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbothioamide Openeye Name: N-cyclooctyl-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbothioamide CAS Name: N-cyclooctyl-4-(5-phenyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-cyclooctyl-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbothioamide Traditional Name: N-cyclooctyl-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbothioamide Formula: C25H31N5S2 MolecularWeight: 465.67714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

InChI

InChI=1S/C25H31N5S2/c31-25(28-20-11-7-2-1-3-8-12-20)30-15-13-29(14-16-30)23-22-21(19-9-5-4-6-10-19)17-32-24(22)27-18-26-23/h4-6,9-10,17-18,20H,1-3,7-8,11-16H2,(H,28,31)