butyl (4S,5R)-4-[4-(diethylamino)phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: butyl (4S,5R)-4-[4-(diethylamino)phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: butyl (4S,5R)-4-[4-(diethylamino)phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-[4-(diethylamino)phenyl]-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid butyl ester IUPAC Name: butyl (4S,5R)-4-[4-(diethylamino)phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-[4-(diethylamino)phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid butyl ester Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C(NC(=S)NC1=C)C2=CC=C(C=C2)N(CC)CC

Isomeric SMILES

CCCCOC(=O)[C@@H]1[C@H](NC(=S)NC1=C)C2=CC=C(C=C2)N(CC)CC

InChI

InChI=1S/C20H29N3O2S/c1-5-8-13-25-19(24)17-14(4)21-20(26)22-18(17)15-9-11-16(12-10-15)23(6-2)7-3/h9-12,17-18H,4-8,13H2,1-3H3,(H2,21,22,26)/t17-,18+/m0/s1