N-(1,3-benzodioxol-5-ylmethyl)-4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbothioamide Traditional Name: 4-(2-isopropyl-6-methyl-pyrimidin-4-yl)-N-piperonyl-piperazine-1-carbothioamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H27N5O2S/c1-14(2)20-23-15(3)10-19(24-20)25-6-8-26(9-7-25)21(29)22-12-16-4-5-17-18(11-16)28-13-27-17/h4-5,10-11,14H,6-9,12-13H2,1-3H3,(H,22,29)