(4R,5R)-4-(3-methoxy-4-prop-2-enoxy-phenyl)-6-methylidene-N-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: (4R,5R)-4-(3-methoxy-4-prop-2-enoxy-phenyl)-6-methylidene-N-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4R,5R)-4-(4-allyloxy-3-methoxy-phenyl)-N-benzyl-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4R,5R)-4-(3-methoxy-4-prop-2-enoxyphenyl)-6-methylene-N-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4R,5R)-N-benzyl-4-(3-methoxy-4-prop-2-enoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4R,5R)-4-(4-allyloxy-3-methoxy-phenyl)-N-benzyl-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(C(=C)NC(=S)N2)C(=O)NCC3=CC=CC=C3)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H]2[C@H](C(=C)NC(=S)N2)C(=O)NCC3=CC=CC=C3)OCC=C

InChI

InChI=1S/C23H25N3O3S/c1-4-12-29-18-11-10-17(13-19(18)28-3)21-20(15(2)25-23(30)26-21)22(27)24-14-16-8-6-5-7-9-16/h4-11,13,20-21H,1-2,12,14H2,3H3,(H,24,27)(H2,25,26,30)/t20-,21-/m0/s1