azepan-1-yl-[4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]methanone

Systemtic Name: azepan-1-yl-[4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]methanone Openeye Name: azepan-1-yl-[4-(2,5-dimethoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]methanone CAS Name: 1-azepanyl-[4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]methanone IUPAC Name: azepan-1-yl-[4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]methanone Traditional Name: azepan-1-yl-[4-(2,5-dimethoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]methanone Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)OC)OC)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)OC)OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H27N3O3S/c1-13-17(19(24)23-10-6-4-5-7-11-23)18(22-20(27)21-13)15-12-14(25-2)8-9-16(15)26-3/h8-9,12,18H,4-7,10-11H2,1-3H3,(H2,21,22,27)