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

Systemtic Name: methyl (NZ)-N-[azanyl-[[4-phenylsulfanyl-2-(propanoylamino)phenyl]-propanoyl-amino]methylidene]carbamate Openeye Name: methyl (NZ)-N-[amino-[4-phenylsulfanyl-N-propanoyl-2-(propanoylamino)anilino]methylene]carbamate CAS Name: (NZ)-N-[amino-[N-(1-oxopropyl)-2-(1-oxopropylamino)-4-(phenylthio)anilino]methylidene]carbamic acid methyl ester IUPAC Name: methyl (NZ)-N-[amino-[4-phenylsulfanyl-N-propanoyl-2-(propanoylamino)anilino]methylidene]carbamate Traditional Name: (NZ)-N-[amino-[4-(phenylthio)-2-propionamido-N-propionyl-anilino]methylene]carbamic acid methyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)N(C(=O)CC)C(=NC(=O)OC)N

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)N(C(=O)CC)/C(=N\C(=O)OC)/N

InChI

InChI=1S/C21H24N4O4S/c1-4-18(26)23-16-13-15(30-14-9-7-6-8-10-14)11-12-17(16)25(19(27)5-2)20(22)24-21(28)29-3/h6-13H,4-5H2,1-3H3,(H,23,26)(H2,22,24,28)