N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R)-2-(cyclohexylamino)-2-oxidanylidene-1-quinolin-6-yl-ethyl]thiophene-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R)-2-(cyclohexylamino)-2-oxidanylidene-1-quinolin-6-yl-ethyl]thiophene-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(6-quinolyl)ethyl]thiophene-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(6-quinolinyl)ethyl]-2-thiophenecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]thiophene-2-carboxamide Traditional Name: N-[(1R)-2-(cyclohexylamino)-2-keto-1-(6-quinolyl)ethyl]-N-piperonyl-thiophene-2-carboxamide Formula: C30H29N3O4S MolecularWeight: 527.63396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC3=C(C=C2)N=CC=C3)N(CC4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CS6

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@@H](C2=CC3=C(C=C2)N=CC=C3)N(CC4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CS6

InChI

InChI=1S/C30H29N3O4S/c34-29(32-23-7-2-1-3-8-23)28(22-11-12-24-21(17-22)6-4-14-31-24)33(30(35)27-9-5-15-38-27)18-20-10-13-25-26(16-20)37-19-36-25/h4-6,9-17,23,28H,1-3,7-8,18-19H2,(H,32,34)/t28-/m1/s1