N-[2,4-bis(fluoranyl)phenyl]-4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbothioamide Openeye Name: N-(2,4-difluorophenyl)-4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbothioamide CAS Name: N-(2,4-difluorophenyl)-4-(5-methyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,4-difluorophenyl)-4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbothioamide Traditional Name: N-(2,4-difluorophenyl)-4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbothioamide Formula: C18H17F2N5S2 MolecularWeight: 405.487886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=NC=NC(=C12)N3CCN(CC3)C(=S)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

CC1=CSC2=NC=NC(=C12)N3CCN(CC3)C(=S)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C18H17F2N5S2/c1-11-9-27-17-15(11)16(21-10-22-17)24-4-6-25(7-5-24)18(26)23-14-3-2-12(19)8-13(14)20/h2-3,8-10H,4-7H2,1H3,(H,23,26)