N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]phenyl]-3,4-dimethoxybenzamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-thenoyl)-1,4-diazepan-1-yl]phenyl]-3,4-dimethoxy-benzamide Formula: C31H37N5O5S MolecularWeight: 591.72098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCCN(CC4)C(=O)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCCN(CC4)C(=O)C5=CC=CS5)OC

InChI

InChI=1S/C31H37N5O5S/c1-40-26-10-8-22(21-27(26)41-2)29(37)33-24-20-23(30(38)35-13-4-11-32-12-16-35)7-9-25(24)34-14-5-15-36(18-17-34)31(39)28-6-3-19-42-28/h3,6-10,19-21,32H,4-5,11-18H2,1-2H3,(H,33,37)