ethyl 5-azanyl-4-cyano-3-[(4-naphthalen-1-ylcarbonylpiperazin-1-yl)methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-naphthalen-1-ylcarbonylpiperazin-1-yl)methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(naphthalene-1-carbonyl)piperazin-1-yl]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-[1-naphthalenyl(oxo)methyl]-1-piperazinyl]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(naphthalene-1-carbonyl)piperazin-1-yl]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(1-naphthoyl)piperazino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H24N4O3S/c1-2-31-24(30)21-20(19(14-25)22(26)32-21)15-27-10-12-28(13-11-27)23(29)18-9-5-7-16-6-3-4-8-17(16)18/h3-9H,2,10-13,15,26H2,1H3