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

Systemtic Name: N-[3-[[3-azanylpropyl-(4-methoxyphenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[3-aminopropyl-(4-methoxybenzoyl)amino]methyl]-4-chloro-phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[3-aminopropyl-[(4-methoxyphenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[3-aminopropyl-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[3-aminopropyl(p-anisoyl)amino]methyl]-4-chloro-phenyl]thiophene-2-carboxamide Formula: C23H24ClN3O3S MolecularWeight: 457.97296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O3S/c1-30-19-8-5-16(6-9-19)23(29)27(12-3-11-25)15-17-14-18(7-10-20(17)24)26-22(28)21-4-2-13-31-21/h2,4-10,13-14H,3,11-12,15,25H2,1H3,(H,26,28)