N-(4-azanylcyclohexyl)-3-[(3-fluorophenyl)carbonylamino]-4-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(3-fluorophenyl)carbonylamino]-4-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(3-fluorobenzoyl)amino]-4-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(3-fluorophenyl)-oxomethyl]amino]-4-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(3-fluorobenzoyl)amino]-4-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[(3-fluorobenzoyl)amino]-4-[4-(2-thenoyl)-1,4-diazepan-1-yl]benzamide Formula: C30H34FN5O3S MolecularWeight: 563.686063

Click to see the large picture

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)NC(=O)C5=CC(=CC=C5)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CS2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C30H34FN5O3S/c31-22-5-1-4-20(18-22)29(38)34-25-19-21(28(37)33-24-10-8-23(32)9-11-24)7-12-26(25)35-13-3-14-36(16-15-35)30(39)27-6-2-17-40-27/h1-2,4-7,12,17-19,23-24H,3,8-11,13-16,32H2,(H,33,37)(H,34,38)