methyl 4-[[(4-dimethylaminophenyl)methyl-(4-methoxyphenyl)carbamothioyl]amino]butanoate

Systemtic Name: methyl 4-[[(4-dimethylaminophenyl)methyl-(4-methoxyphenyl)carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[(4-dimethylaminophenyl)methyl-(4-methoxyphenyl)carbamothioyl]amino]butanoate CAS Name: 4-[[[N-[(4-dimethylaminophenyl)methyl]-4-methoxyanilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(4-dimethylaminophenyl)methyl-(4-methoxyphenyl)carbamothioyl]amino]butanoate Traditional Name: 4-[[[4-(dimethylamino)benzyl]-(4-methoxyphenyl)thiocarbamoyl]amino]butyric acid methyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)OC)C(=S)NCCCC(=O)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)OC)C(=S)NCCCC(=O)OC

InChI

InChI=1S/C22H29N3O3S/c1-24(2)18-9-7-17(8-10-18)16-25(19-11-13-20(27-3)14-12-19)22(29)23-15-5-6-21(26)28-4/h7-14H,5-6,15-16H2,1-4H3,(H,23,29)