(5S,6R)-N-(3-chlorophenyl)-4-methylidene-6-(2-prop-2-enoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: (5S,6R)-N-(3-chlorophenyl)-4-methylidene-6-(2-prop-2-enoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4R,5S)-4-(2-allyloxyphenyl)-N-(3-chlorophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (5S,6R)-N-(3-chlorophenyl)-4-methylene-6-(2-prop-2-enoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (5S,6R)-N-(3-chlorophenyl)-4-methylidene-6-(2-prop-2-enoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4R,5S)-4-(2-allyloxyphenyl)-N-(3-chlorophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C2C(C(=C)NC(=S)N2)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C=CCOC1=CC=CC=C1[C@H]2[C@@H](C(=C)NC(=S)N2)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O2S/c1-3-11-27-17-10-5-4-9-16(17)19-18(13(2)23-21(28)25-19)20(26)24-15-8-6-7-14(22)12-15/h3-10,12,18-19H,1-2,11H2,(H,24,26)(H2,23,25,28)/t18-,19+/m1/s1