phenyl (1Z)-N-[[4-(dimethylamino)-3,5-dimethyl-phenoxy]carbonyl-methyl-amino]sulfanyl-2-methyl-propanimidothioate

Systemtic Name: phenyl (1Z)-N-[[4-(dimethylamino)-3,5-dimethyl-phenoxy]carbonyl-methyl-amino]sulfanyl-2-methyl-propanimidothioate Openeye Name: phenyl (1Z)-N-[[4-(dimethylamino)-3,5-dimethyl-phenoxy]carbonyl-methyl-amino]sulfanyl-2-methyl-propanimidothioate CAS Name: (1Z)-N-[[[[4-(dimethylamino)-3,5-dimethylphenoxy]-oxomethyl]-methylamino]thio]-2-methylpropanimidothioic acid phenyl ester IUPAC Name: phenyl (1Z)-N-[[4-(dimethylamino)-3,5-dimethylphenoxy]carbonyl-methylamino]sulfanyl-2-methylpropanimidothioate Traditional Name: (1Z)-N-[[[4-(dimethylamino)-3,5-dimethyl-phenoxy]carbonyl-methyl-amino]thio]-2-methyl-thiopropionimidic acid phenyl ester Formula: C22H29N3O2S2 MolecularWeight: 431.61456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N(C)C)C)OC(=O)N(C)SN=C(C(C)C)SC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC(=C1N(C)C)C)OC(=O)N(C)S/N=C(/C(C)C)\SC2=CC=CC=C2

InChI

InChI=1S/C22H29N3O2S2/c1-15(2)21(28-19-11-9-8-10-12-19)23-29-25(7)22(26)27-18-13-16(3)20(24(5)6)17(4)14-18/h8-15H,1-7H3/b23-21-