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

Systemtic Name: 4-cyano-N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)phenyl]benzamide Openeye Name: 4-cyano-N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]phenyl]benzamide CAS Name: 4-cyano-N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]phenyl]benzamide IUPAC Name: 4-cyano-N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]phenyl]benzamide Traditional Name: 4-cyano-N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-thenoyl)-1,4-diazepan-1-yl]phenyl]benzamide Formula: C30H32N6O3S MolecularWeight: 556.67848

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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)C#N

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)C#N

InChI

InChI=1S/C30H32N6O3S/c31-21-22-5-7-23(8-6-22)28(37)33-25-20-24(29(38)35-13-2-11-32-12-16-35)9-10-26(25)34-14-3-15-36(18-17-34)30(39)27-4-1-19-40-27/h1,4-10,19-20,32H,2-3,11-18H2,(H,33,37)