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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)phenyl]-4-nitro-benzamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]phenyl]-4-nitro-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]-4-nitrobenzamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]phenyl]-4-nitrobenzamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-thenoyl)-1,4-diazepan-1-yl]phenyl]-4-nitro-benzamide Formula: C29H32N6O5S MolecularWeight: 576.66658

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CS4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CS4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H32N6O5S/c36-27(21-5-8-23(9-6-21)35(39)40)31-24-20-22(28(37)33-13-2-11-30-12-16-33)7-10-25(24)32-14-3-15-34(18-17-32)29(38)26-4-1-19-41-26/h1,4-10,19-20,30H,2-3,11-18H2,(H,31,36)