4-[(5-acetamido-4-isocyano-3-methyl-thiophen-2-yl)methyl]-N-(2-aminophenyl)benzamide

Systemtic Name: 4-[(5-acetamido-4-isocyano-3-methyl-thiophen-2-yl)methyl]-N-(2-aminophenyl)benzamide Openeye Name: 4-[(5-acetamido-4-isocyano-3-methyl-2-thienyl)methyl]-N-(2-aminophenyl)benzamide CAS Name: 4-[(5-acetamido-4-isocyano-3-methyl-2-thiophenyl)methyl]-N-(2-aminophenyl)benzamide IUPAC Name: 4-[(5-acetamido-4-isocyano-3-methylthiophen-2-yl)methyl]-N-(2-aminophenyl)benzamide Traditional Name: 4-[(5-acetamido-4-isocyano-3-methyl-2-thienyl)methyl]-N-(2-aminophenyl)benzamide Formula: C22H20N4O2S MolecularWeight: 404.4848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1[N+]#[C-])NC(=O)C)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N

Isomeric SMILES

CC1=C(SC(=C1[N+]#[C-])NC(=O)C)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N

InChI

InChI=1S/C22H20N4O2S/c1-13-19(29-22(20(13)24-3)25-14(2)27)12-15-8-10-16(11-9-15)21(28)26-18-7-5-4-6-17(18)23/h4-11H,12,23H2,1-2H3,(H,25,27)(H,26,28)