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

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbothioamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbothioamide CAS Name: N-(4-methyl-3-nitrophenyl)-4-(5-methyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbothioamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbothioamide Formula: C19H20N6O2S2 MolecularWeight: 428.5311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=C4C(=CSC4=NC=N3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=C4C(=CSC4=NC=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O2S2/c1-12-3-4-14(9-15(12)25(26)27)22-19(28)24-7-5-23(6-8-24)17-16-13(2)10-29-18(16)21-11-20-17/h3-4,9-11H,5-8H2,1-2H3,(H,22,28)