N-[3-[[3-azanylpropyl-(4-methoxyphenyl)carbonyl-amino]methyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[3-azanylpropyl-(4-methoxyphenyl)carbonyl-amino]methyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[3-aminopropyl-(4-methoxybenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[3-aminopropyl-[(4-methoxyphenyl)-oxomethyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[3-aminopropyl-(4-methoxybenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[3-aminopropyl(p-anisoyl)amino]methyl]phenyl]thiophene-2-carboxamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CCCN)CC2=CC(=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CCCN)CC2=CC(=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C23H25N3O3S/c1-29-20-10-8-18(9-11-20)23(28)26(13-4-12-24)16-17-5-2-6-19(15-17)25-22(27)21-7-3-14-30-21/h2-3,5-11,14-15H,4,12-13,16,24H2,1H3,(H,25,27)