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

Systemtic Name: methyl (NZ)-N-[azanyl-[[2-(butanoylamino)-5-phenylsulfanyl-phenyl]-propanoyl-amino]methylidene]carbamate Openeye Name: methyl (NZ)-N-[amino-[2-(butanoylamino)-5-phenylsulfanyl-N-propanoyl-anilino]methylene]carbamate CAS Name: (NZ)-N-[amino-[2-(1-oxobutylamino)-N-(1-oxopropyl)-5-(phenylthio)anilino]methylidene]carbamic acid methyl ester IUPAC Name: methyl (NZ)-N-[amino-[2-(butanoylamino)-5-phenylsulfanyl-N-propanoylanilino]methylidene]carbamate Traditional Name: (NZ)-N-[amino-[2-butyramido-5-(phenylthio)-N-propionyl-anilino]methylene]carbamic acid methyl ester Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S/c1-4-9-19(27)24-17-13-12-16(31-15-10-7-6-8-11-15)14-18(17)26(20(28)5-2)21(23)25-22(29)30-3/h6-8,10-14H,4-5,9H2,1-3H3,(H,24,27)(H2,23,25,29)