N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyanophenyl)carbamoyl-cyclopropyl-amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyanophenyl)carbamoyl-cyclopropyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyanophenyl)carbamoyl-cyclopropyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-cyanoanilino)-oxomethyl]-cyclopropylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyanophenyl)carbamoyl-cyclopropylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[(4-cyanophenyl)carbamoyl-cyclopropyl-amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C(=O)NC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CC1N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C(=O)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H24N4O4S/c27-13-18-3-6-20(7-4-18)28-26(32)30(21-8-9-21)16-25(31)29(15-22-2-1-11-35-22)14-19-5-10-23-24(12-19)34-17-33-23/h1-7,10-12,21H,8-9,14-17H2,(H,28,32)