N-(1,3-benzodioxol-5-ylmethyl)-2-[(phenylmethyl)carbamoyl-prop-2-enyl-amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(phenylmethyl)carbamoyl-prop-2-enyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[allyl(benzylcarbamoyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[oxo-[(phenylmethyl)amino]methyl]-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[benzylcarbamoyl(prop-2-enyl)amino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[allyl(benzylcarbamoyl)amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C=CCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4S/c1-2-12-28(26(31)27-15-20-7-4-3-5-8-20)18-25(30)29(17-22-9-6-13-34-22)16-21-10-11-23-24(14-21)33-19-32-23/h2-11,13-14H,1,12,15-19H2,(H,27,31)