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

Systemtic Name: pentyl (4S,5S)-4-[4-(diethylamino)phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: pentyl (4S,5S)-4-[4-(diethylamino)phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S)-4-[4-(diethylamino)phenyl]-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid pentyl ester IUPAC Name: pentyl (4S,5S)-4-[4-(diethylamino)phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5S)-4-[4-(diethylamino)phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid amyl ester Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O2S/c1-5-8-9-14-26-20(25)18-15(4)22-21(27)23-19(18)16-10-12-17(13-11-16)24(6-2)7-3/h10-13,18-19H,4-9,14H2,1-3H3,(H2,22,23,27)/t18-,19-/m1/s1