N-(3-methoxyphenyl)-4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-(3-methoxyphenyl)-4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazine-1-carbothioamide Openeye Name: 4-(2-isopropyl-6-methyl-pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(3-methoxyphenyl)-4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbothioamide Traditional Name: 4-(2-isopropyl-6-methyl-pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carbothioamide Formula: C20H27N5OS MolecularWeight: 385.52628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H27N5OS/c1-14(2)19-21-15(3)12-18(23-19)24-8-10-25(11-9-24)20(27)22-16-6-5-7-17(13-16)26-4/h5-7,12-14H,8-11H2,1-4H3,(H,22,27)