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

Systemtic Name: (4S,5R)-4-(4-butoxy-3-methoxy-phenyl)-6-methylidene-N-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4S,5R)-N-benzyl-4-(4-butoxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4S,5R)-4-(4-butoxy-3-methoxyphenyl)-6-methylene-N-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4S,5R)-N-benzyl-4-(4-butoxy-3-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4S,5R)-N-benzyl-4-(4-butoxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)NCC3=CC=CC=C3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C24H29N3O3S/c1-4-5-13-30-19-12-11-18(14-20(19)29-3)22-21(16(2)26-24(31)27-22)23(28)25-15-17-9-7-6-8-10-17/h6-12,14,21-22H,2,4-5,13,15H2,1,3H3,(H,25,28)(H2,26,27,31)/t21-,22+/m0/s1