(4S,5R)-4-(5-chloranyl-3-methoxy-2-propoxy-phenyl)-6-methylidene-N-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: (4S,5R)-4-(5-chloranyl-3-methoxy-2-propoxy-phenyl)-6-methylidene-N-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4S,5R)-N-benzyl-4-(5-chloro-3-methoxy-2-propoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4S,5R)-4-(5-chloro-3-methoxy-2-propoxyphenyl)-6-methylene-N-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4S,5R)-N-benzyl-4-(5-chloro-3-methoxy-2-propoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4S,5R)-N-benzyl-4-(5-chloro-3-methoxy-2-propoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C23H26ClN3O3S MolecularWeight: 459.98884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1C2C(C(=C)NC(=S)N2)C(=O)NCC3=CC=CC=C3)Cl)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)NCC3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C23H26ClN3O3S/c1-4-10-30-21-17(11-16(24)12-18(21)29-3)20-19(14(2)26-23(31)27-20)22(28)25-13-15-8-6-5-7-9-15/h5-9,11-12,19-20H,2,4,10,13H2,1,3H3,(H,25,28)(H2,26,27,31)/t19-,20+/m0/s1