1-[(4S,5R)-4-(2-chloranyl-5-ethoxy-4-propoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]ethanone

Systemtic Name: 1-[(4S,5R)-4-(2-chloranyl-5-ethoxy-4-propoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]ethanone Openeye Name: 1-[(4S,5R)-4-(2-chloro-5-ethoxy-4-propoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidin-5-yl]ethanone CAS Name: 1-[(4S,5R)-4-(2-chloro-5-ethoxy-4-propoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinan-5-yl]ethanone IUPAC Name: 1-[(4S,5R)-4-(2-chloro-5-ethoxy-4-propoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]ethanone Traditional Name: 1-[(4S,5R)-4-(2-chloro-5-ethoxy-4-propoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidin-5-yl]ethanone Formula: C18H23ClN2O3S MolecularWeight: 382.90482

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C(=C1)Cl)C2C(C(=C)NC(=S)N2)C(=O)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C(=C1)Cl)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)C)OCC

InChI

InChI=1S/C18H23ClN2O3S/c1-5-7-24-15-9-13(19)12(8-14(15)23-6-2)17-16(11(4)22)10(3)20-18(25)21-17/h8-9,16-17H,3,5-7H2,1-2,4H3,(H2,20,21,25)/t16-,17-/m1/s1