2-[(2,6-dimethylphenyl)carbamoyl-prop-2-enyl-amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[(2,6-dimethylphenyl)carbamoyl-prop-2-enyl-amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[allyl-[(2,6-dimethylphenyl)carbamoyl]amino]-N-benzyl-N-(2-thienylmethyl)acetamide CAS Name: 2-[[(2,6-dimethylanilino)-oxomethyl]-prop-2-enylamino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-benzyl-2-[(2,6-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[allyl-[(2,6-dimethylphenyl)carbamoyl]amino]-N-benzyl-N-(2-thenyl)acetamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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