(4S,5S)-4-(4-butoxy-3-methoxy-phenyl)-N-(3,4-dimethylphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: (4S,5S)-4-(4-butoxy-3-methoxy-phenyl)-N-(3,4-dimethylphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4S,5S)-4-(4-butoxy-3-methoxy-phenyl)-N-(3,4-dimethylphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4S,5S)-4-(4-butoxy-3-methoxyphenyl)-N-(3,4-dimethylphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4S,5S)-4-(4-butoxy-3-methoxyphenyl)-N-(3,4-dimethylphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4S,5S)-4-(4-butoxy-3-methoxy-phenyl)-N-(3,4-dimethylphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)NC3=CC(=C(C=C3)C)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)[C@@H]2[C@@H](C(=C)NC(=S)N2)C(=O)NC3=CC(=C(C=C3)C)C)OC

InChI

InChI=1S/C25H31N3O3S/c1-6-7-12-31-20-11-9-18(14-21(20)30-5)23-22(17(4)26-25(32)28-23)24(29)27-19-10-8-15(2)16(3)13-19/h8-11,13-14,22-23H,4,6-7,12H2,1-3,5H3,(H,27,29)(H2,26,28,32)/t22-,23-/m1/s1