(4S,5R)-4-[4-(cyanomethoxy)-3-ethoxy-5-iodanyl-phenyl]-6-methylidene-N-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: (4S,5R)-4-[4-(cyanomethoxy)-3-ethoxy-5-iodanyl-phenyl]-6-methylidene-N-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4S,5R)-4-[4-(cyanomethoxy)-3-ethoxy-5-iodo-phenyl]-6-methylene-N-phenyl-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4S,5R)-4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methylene-N-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4S,5R)-4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methylidene-N-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4S,5R)-4-[4-(cyanomethoxy)-3-ethoxy-5-iodo-phenyl]-6-methylene-N-phenyl-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C22H21IN4O3S MolecularWeight: 548.39661

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(C(=C)NC(=S)N2)C(=O)NC3=CC=CC=C3)I)OCC#N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)NC3=CC=CC=C3)I)OCC#N

InChI

InChI=1S/C22H21IN4O3S/c1-3-29-17-12-14(11-16(23)20(17)30-10-9-24)19-18(13(2)25-22(31)27-19)21(28)26-15-7-5-4-6-8-15/h4-8,11-12,18-19H,2-3,10H2,1H3,(H,26,28)(H2,25,27,31)/t18-,19+/m0/s1