ethyl 2-azanyl-4-[[(4-dimethylaminophenyl)methyl-methyl-amino]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-[[(4-dimethylaminophenyl)methyl-methyl-amino]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-[[(4-dimethylaminophenyl)methyl-methyl-amino]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-4-[[(4-dimethylaminophenyl)methyl-methylamino]methyl]-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[[(4-dimethylaminophenyl)methyl-methylamino]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-amino-4-[[[4-(dimethylamino)benzyl]-methyl-amino]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CN(C)CC2=CC=C(C=C2)N(C)C)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CN(C)CC2=CC=C(C=C2)N(C)C)C(=O)NC)N

InChI

InChI=1S/C20H28N4O3S/c1-6-27-20(26)16-15(17(19(25)22-2)28-18(16)21)12-24(5)11-13-7-9-14(10-8-13)23(3)4/h7-10H,6,11-12,21H2,1-5H3,(H,22,25)