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

Systemtic Name: N-(2-aminophenyl)-4-[[4-isocyano-3-methyl-5-(phenylcarbamoylamino)thiophen-2-yl]methyl]benzamide Openeye Name: N-(2-aminophenyl)-4-[[4-isocyano-3-methyl-5-(phenylcarbamoylamino)-2-thienyl]methyl]benzamide CAS Name: N-(2-aminophenyl)-4-[[5-[[anilino(oxo)methyl]amino]-4-isocyano-3-methyl-2-thiophenyl]methyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[[4-isocyano-3-methyl-5-(phenylcarbamoylamino)thiophen-2-yl]methyl]benzamide Traditional Name: N-(2-aminophenyl)-4-[[4-isocyano-3-methyl-5-(phenylcarbamoylamino)-2-thienyl]methyl]benzamide Formula: C27H23N5O2S MolecularWeight: 481.56882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1[N+]#[C-])NC(=O)NC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

Isomeric SMILES

CC1=C(SC(=C1[N+]#[C-])NC(=O)NC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

InChI

InChI=1S/C27H23N5O2S/c1-17-23(35-26(24(17)29-2)32-27(34)30-20-8-4-3-5-9-20)16-18-12-14-19(15-13-18)25(33)31-22-11-7-6-10-21(22)28/h3-15H,16,28H2,1H3,(H,31,33)(H2,30,32,34)