3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-6-methyl-2-propan-2-yl-pyrimidine-4-thione

Systemtic Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-6-methyl-2-propan-2-yl-pyrimidine-4-thione Openeye Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-2-isopropyl-6-methyl-pyrimidine-4-thione CAS Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methyl]-6-methyl-2-propan-2-yl-4-pyrimidinethione IUPAC Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-6-methyl-2-propan-2-ylpyrimidine-4-thione Traditional Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methyl]-2-isopropyl-6-methyl-pyrimidine-4-thione Formula: C22H30N4O4S2 MolecularWeight: 478.628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=S)N(C(=N1)C(C)C)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=S)N(C(=N1)C(C)C)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H30N4O4S2/c1-16(2)22-23-17(3)13-21(31)26(22)15-24-7-9-25(10-8-24)32(27,28)18-5-6-19-20(14-18)30-12-4-11-29-19/h5-6,13-14,16H,4,7-12,15H2,1-3H3