methyl (NE)-N-[azanyl-[(2-benzamido-4-phenylsulfanyl-phenyl)-propanoyl-amino]methylidene]carbamate

Systemtic Name: methyl (NE)-N-[azanyl-[(2-benzamido-4-phenylsulfanyl-phenyl)-propanoyl-amino]methylidene]carbamate Openeye Name: methyl (NE)-N-[amino-(2-benzamido-4-phenylsulfanyl-N-propanoyl-anilino)methylene]carbamate CAS Name: (NE)-N-[amino-[2-benzamido-N-(1-oxopropyl)-4-(phenylthio)anilino]methylidene]carbamic acid methyl ester IUPAC Name: methyl (NE)-N-[amino-(2-benzamido-4-phenylsulfanyl-N-propanoylanilino)methylidene]carbamate Traditional Name: (NE)-N-[amino-[2-benzamido-4-(phenylthio)-N-propionyl-anilino]methylene]carbamic acid methyl ester Formula: C25H24N4O4S MolecularWeight: 476.54746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=C(C=C(C=C1)SC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=NC(=O)OC)N

Isomeric SMILES

CCC(=O)N(C1=C(C=C(C=C1)SC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)/C(=N/C(=O)OC)/N

InChI

InChI=1S/C25H24N4O4S/c1-3-22(30)29(24(26)28-25(32)33-2)21-15-14-19(34-18-12-8-5-9-13-18)16-20(21)27-23(31)17-10-6-4-7-11-17/h4-16H,3H2,1-2H3,(H,27,31)(H2,26,28,32)