N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(3-chloranyl-4-methoxy-phenyl)ethanediamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-N'-(3-chloranyl-4-methoxy-phenyl)ethanediamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(3-chloro-4-methoxy-phenyl)oxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-N'-(3-chloro-4-methoxyphenyl)oxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(3-chloro-4-methoxyphenyl)oxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-N'-(3-chloro-4-methoxy-phenyl)oxamide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCCC3)Cl

InChI

InChI=1S/C21H26ClN3O3S/c1-28-19-7-6-16(12-17(19)22)24-21(27)20(26)23-13-18(15-8-11-29-14-15)25-9-4-2-3-5-10-25/h6-8,11-12,14,18H,2-5,9-10,13H2,1H3,(H,23,26)(H,24,27)