N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enyl-amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[allyl(p-tolylcarbamoyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-methylanilino)-oxomethyl]-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[allyl(p-tolylcarbamoyl)amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N(CC=C)CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N(CC=C)CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4

InChI

InChI=1S/C26H27N3O4S/c1-3-12-28(26(31)27-21-9-6-19(2)7-10-21)17-25(30)29(16-22-5-4-13-34-22)15-20-8-11-23-24(14-20)33-18-32-23/h3-11,13-14H,1,12,15-18H2,2H3,(H,27,31)