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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enyl-amino]-N-[(3-methylthiophen-2-yl)methyl]ethanamide Openeye Name: 2-[allyl(p-tolylcarbamoyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-methyl-2-thienyl)methyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-methylanilino)-oxomethyl]-prop-2-enylamino]-N-[(3-methyl-2-thiophenyl)methyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[allyl(p-tolylcarbamoyl)amino]-N-[(3-methyl-2-thienyl)methyl]-N-piperonyl-acetamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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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=C(C=CS4)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4S/c1-4-12-29(27(32)28-22-8-5-19(2)6-9-22)17-26(31)30(16-25-20(3)11-13-35-25)15-21-7-10-23-24(14-21)34-18-33-23/h4-11,13-14H,1,12,15-18H2,2-3H3,(H,28,32)