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

Systemtic Name: 2-[(3,4-dimethylphenyl)carbamoyl-prop-2-enyl-amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[allyl-[(3,4-dimethylphenyl)carbamoyl]amino]-N-benzyl-N-(2-thienylmethyl)acetamide CAS Name: 2-[[(3,4-dimethylanilino)-oxomethyl]-prop-2-enylamino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-benzyl-2-[(3,4-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[allyl-[(3,4-dimethylphenyl)carbamoyl]amino]-N-benzyl-N-(2-thenyl)acetamide Formula: C26H29N3O2S MolecularWeight: 447.59236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N(CC=C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N(CC=C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CS3)C

InChI

InChI=1S/C26H29N3O2S/c1-4-14-28(26(31)27-23-13-12-20(2)21(3)16-23)19-25(30)29(18-24-11-8-15-32-24)17-22-9-6-5-7-10-22/h4-13,15-16H,1,14,17-19H2,2-3H3,(H,27,31)