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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-propan-2-ylphenyl)carbamoyl-prop-2-enyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[allyl-[(4-isopropylphenyl)carbamoyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[oxo-(4-propan-2-ylanilino)methyl]-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-propan-2-ylphenyl)carbamoyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[allyl(p-cumenylcarbamoyl)amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O4S/c1-4-13-30(28(33)29-23-10-8-22(9-11-23)20(2)3)18-27(32)31(17-24-6-5-14-36-24)16-21-7-12-25-26(15-21)35-19-34-25/h4-12,14-15,20H,1,13,16-19H2,2-3H3,(H,29,33)