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

Systemtic Name: (4R,5R)-4-(3-bromanyl-4-cyclopentyloxy-5-methoxy-phenyl)-6-methylidene-N-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4R,5R)-N-benzyl-4-[3-bromo-4-(cyclopentoxy)-5-methoxy-phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4R,5R)-4-(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)-6-methylene-N-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4R,5R)-N-benzyl-4-(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4R,5R)-N-benzyl-4-[3-bromo-4-(cyclopentoxy)-5-methoxy-phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C25H28BrN3O3S MolecularWeight: 530.47712

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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)Br)OC4CCCC4

Isomeric SMILES

COC1=C(C(=CC(=C1)[C@H]2[C@H](C(=C)NC(=S)N2)C(=O)NCC3=CC=CC=C3)Br)OC4CCCC4

InChI

InChI=1S/C25H28BrN3O3S/c1-15-21(24(30)27-14-16-8-4-3-5-9-16)22(29-25(33)28-15)17-12-19(26)23(20(13-17)31-2)32-18-10-6-7-11-18/h3-5,8-9,12-13,18,21-22H,1,6-7,10-11,14H2,2H3,(H,27,30)(H2,28,29,33)/t21-,22-/m0/s1