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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazine-1-carbothioamide Openeye Name: 4-(2-isopropyl-6-methyl-pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: N-[(4-methoxyphenyl)methyl]-4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbothioamide Traditional Name: 4-(2-isopropyl-6-methyl-pyrimidin-4-yl)-N-p-anisyl-piperazine-1-carbothioamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H29N5OS/c1-15(2)20-23-16(3)13-19(24-20)25-9-11-26(12-10-25)21(28)22-14-17-5-7-18(27-4)8-6-17/h5-8,13,15H,9-12,14H2,1-4H3,(H,22,28)