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

Systemtic Name: methyl (NZ)-N-[azanyl-[[2-(pentanoylamino)-4-phenylsulfanyl-phenyl]-propanoyl-amino]methylidene]carbamate Openeye Name: methyl (NZ)-N-[amino-[2-(pentanoylamino)-4-phenylsulfanyl-N-propanoyl-anilino]methylene]carbamate CAS Name: (NZ)-N-[amino-[2-(1-oxopentylamino)-N-(1-oxopropyl)-4-(phenylthio)anilino]methylidene]carbamic acid methyl ester IUPAC Name: methyl (NZ)-N-[amino-[2-(pentanoylamino)-4-phenylsulfanyl-N-propanoylanilino]methylidene]carbamate Traditional Name: (NZ)-N-[amino-[4-(phenylthio)-N-propionyl-2-(valerylamino)anilino]methylene]carbamic acid methyl ester Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4S/c1-4-6-12-20(28)25-18-15-17(32-16-10-8-7-9-11-16)13-14-19(18)27(21(29)5-2)22(24)26-23(30)31-3/h7-11,13-15H,4-6,12H2,1-3H3,(H,25,28)(H2,24,26,30)