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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C(=S)NCC4=CC=CC=C4)C5CCCCC5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C(=S)NCC4=CC=CC=C4)C5CCCCC5)C

InChI

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