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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-dimethylphenyl)carbamoyl-prop-2-enyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[allyl-[(2,4-dimethylphenyl)carbamoyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(2,4-dimethylanilino)-oxomethyl]-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[allyl-[(2,4-dimethylphenyl)carbamoyl]amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C27H29N3O4S MolecularWeight: 491.60186

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

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