methyl (NZ)-N-[azanyl-[[2-(ethylcarbamoylamino)-5-phenylsulfanyl-phenyl]-propanoyl-amino]methylidene]carbamate

Systemtic Name: methyl (NZ)-N-[azanyl-[[2-(ethylcarbamoylamino)-5-phenylsulfanyl-phenyl]-propanoyl-amino]methylidene]carbamate Openeye Name: methyl (NZ)-N-[amino-[2-(ethylcarbamoylamino)-5-phenylsulfanyl-N-propanoyl-anilino]methylene]carbamate CAS Name: (NZ)-N-[amino-[2-(ethylcarbamoylamino)-N-(1-oxopropyl)-5-(phenylthio)anilino]methylidene]carbamic acid methyl ester IUPAC Name: methyl (NZ)-N-[amino-[2-(ethylcarbamoylamino)-5-phenylsulfanyl-N-propanoylanilino]methylidene]carbamate Traditional Name: (NZ)-N-[amino-[2-(ethylcarbamoylamino)-5-(phenylthio)-N-propionyl-anilino]methylene]carbamic acid methyl ester Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4S/c1-4-18(27)26(19(22)25-21(29)30-3)17-13-15(31-14-9-7-6-8-10-14)11-12-16(17)24-20(28)23-5-2/h6-13H,4-5H2,1-3H3,(H2,22,25,29)(H2,23,24,28)