N-cyclohexyl-4-[2-(diethylcarbamoyl)-4-(thiophen-2-ylcarbonylamino)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-cyclohexyl-4-[2-(diethylcarbamoyl)-4-(thiophen-2-ylcarbonylamino)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: N-cyclohexyl-4-[2-(diethylcarbamoyl)-4-(thiophene-2-carbonylamino)phenyl]-1,4-diazepane-1-carboxamide CAS Name: N-cyclohexyl-4-[2-[diethylamino(oxo)methyl]-4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-cyclohexyl-4-[2-(diethylcarbamoyl)-4-(thiophene-2-carbonylamino)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: N-cyclohexyl-4-[2-(diethylcarbamoyl)-4-(2-thenoylamino)phenyl]-1,4-diazepane-1-carboxamide Formula: C28H39N5O3S MolecularWeight: 525.70596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CS2)N3CCCN(CC3)C(=O)NC4CCCCC4

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CS2)N3CCCN(CC3)C(=O)NC4CCCCC4

InChI

InChI=1S/C28H39N5O3S/c1-3-31(4-2)27(35)23-20-22(29-26(34)25-12-8-19-37-25)13-14-24(23)32-15-9-16-33(18-17-32)28(36)30-21-10-6-5-7-11-21/h8,12-14,19-21H,3-7,9-11,15-18H2,1-2H3,(H,29,34)(H,30,36)