2-[(3-cyanophenyl)carbamoyl-prop-2-enyl-amino]-N-[(5-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(3-cyanophenyl)carbamoyl-prop-2-enyl-amino]-N-[(5-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[allyl-[(3-cyanophenyl)carbamoyl]amino]-N-benzyl-N-[(5-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[[(3-cyanoanilino)-oxomethyl]-prop-2-enylamino]-N-[(5-methyl-2-thiophenyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(3-cyanophenyl)carbamoyl-prop-2-enylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[allyl-[(3-cyanophenyl)carbamoyl]amino]-N-benzyl-N-[(5-methyl-2-thienyl)methyl]acetamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C26H26N4O2S/c1-3-14-29(26(32)28-23-11-7-10-22(15-23)16-27)19-25(31)30(17-21-8-5-4-6-9-21)18-24-13-12-20(2)33-24/h3-13,15H,1,14,17-19H2,2H3,(H,28,32)