[(5S,6R)-4-methylidene-6-(2-propan-2-yloxyphenyl)-2-sulfanylidene-1,3-diazinan-5-yl]-phenyl-methanone

Systemtic Name: [(5S,6R)-4-methylidene-6-(2-propan-2-yloxyphenyl)-2-sulfanylidene-1,3-diazinan-5-yl]-phenyl-methanone Openeye Name: [(4R,5S)-4-(2-isopropoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidin-5-yl]-phenyl-methanone CAS Name: [(5S,6R)-4-methylene-6-(2-propan-2-yloxyphenyl)-2-sulfanylidene-1,3-diazinan-5-yl]-phenylmethanone IUPAC Name: [(5S,6R)-4-methylidene-6-(2-propan-2-yloxyphenyl)-2-sulfanylidene-1,3-diazinan-5-yl]-phenylmethanone Traditional Name: [(4R,5S)-4-(2-isopropoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidin-5-yl]-phenyl-methanone Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C2C(C(=C)NC(=S)N2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC=CC=C1[C@H]2[C@@H](C(=C)NC(=S)N2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2S/c1-13(2)25-17-12-8-7-11-16(17)19-18(14(3)22-21(26)23-19)20(24)15-9-5-4-6-10-15/h4-13,18-19H,3H2,1-2H3,(H2,22,23,26)/t18-,19+/m1/s1