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

Systemtic Name: N-[3-[[3-azanylpropyl-(3,4-dimethoxyphenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[3-aminopropyl-(3,4-dimethoxybenzoyl)amino]methyl]-4-chloro-phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[3-aminopropyl-[(3,4-dimethoxyphenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[3-aminopropyl-(3,4-dimethoxybenzoyl)amino]methyl]-4-chlorophenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[3-aminopropyl(veratroyl)amino]methyl]-4-chloro-phenyl]thiophene-2-carboxamide Formula: C24H26ClN3O4S MolecularWeight: 487.99894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O4S/c1-31-20-9-6-16(14-21(20)32-2)24(30)28(11-4-10-26)15-17-13-18(7-8-19(17)25)27-23(29)22-5-3-12-33-22/h3,5-9,12-14H,4,10-11,15,26H2,1-2H3,(H,27,29)