3-azanyl-N-(4-azanylcyclohexyl)-4-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)benzamide

Systemtic Name: 3-azanyl-N-(4-azanylcyclohexyl)-4-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(2-thenoyl)-1,4-diazepan-1-yl]benzamide Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CS2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CS2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)N

InChI

InChI=1S/C23H31N5O2S/c24-17-5-7-18(8-6-17)26-22(29)16-4-9-20(19(25)15-16)27-10-2-11-28(13-12-27)23(30)21-3-1-14-31-21/h1,3-4,9,14-15,17-18H,2,5-8,10-13,24-25H2,(H,26,29)