N-cyclohexyl-4-[5,6-dimethyl-2-(phenylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carbothioamide

Systemtic Name: N-cyclohexyl-4-[5,6-dimethyl-2-(phenylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carbothioamide Openeye Name: 4-(2-benzyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)-N-cyclohexyl-piperazine-1-carbothioamide CAS Name: N-cyclohexyl-4-[5,6-dimethyl-2-(phenylmethyl)-4-thieno[2,3-d]pyrimidinyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-cyclohexylpiperazine-1-carbothioamide Traditional Name: 4-(2-benzyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)-N-cyclohexyl-piperazine-1-carbothioamide Formula: C26H33N5S2 MolecularWeight: 479.70372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C(=S)NC4CCCCC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C(=S)NC4CCCCC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C26H33N5S2/c1-18-19(2)33-25-23(18)24(28-22(29-25)17-20-9-5-3-6-10-20)30-13-15-31(16-14-30)26(32)27-21-11-7-4-8-12-21/h3,5-6,9-10,21H,4,7-8,11-17H2,1-2H3,(H,27,32)