N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(2-thenoyl)-1,4-diazepan-1-yl]phenyl]-piperonylamide Formula: C31H35N5O5S MolecularWeight: 589.7051

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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)NC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CS2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H35N5O5S/c32-22-6-8-23(9-7-22)33-29(37)20-4-10-25(35-12-2-13-36(15-14-35)31(39)28-3-1-16-42-28)24(17-20)34-30(38)21-5-11-26-27(18-21)41-19-40-26/h1,3-5,10-11,16-18,22-23H,2,6-9,12-15,19,32H2,(H,33,37)(H,34,38)