(4S,5S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylidene-N-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: (4S,5S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylidene-N-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4S,5S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylene-N-(p-tolyl)-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4S,5S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylene-N-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4S,5S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylidene-N-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4S,5S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylene-N-(p-tolyl)-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2C(NC(=S)NC2=C)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H]2[C@H](NC(=S)NC2=C)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21N3O3S/c1-12-3-6-15(7-4-12)23-20(25)18-13(2)22-21(28)24-19(18)14-5-8-16-17(11-14)27-10-9-26-16/h3-8,11,18-19H,2,9-10H2,1H3,(H,23,25)(H2,22,24,28)/t18-,19-/m1/s1