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

Systemtic Name: methyl (NZ)-N-[azanyl-[[2-(butylcarbamoylamino)-5-phenylsulfanyl-phenyl]-propanoyl-amino]methylidene]carbamate Openeye Name: methyl (NZ)-N-[amino-[2-(butylcarbamoylamino)-5-phenylsulfanyl-N-propanoyl-anilino]methylene]carbamate CAS Name: (NZ)-N-[amino-[2-[[butylamino(oxo)methyl]amino]-N-(1-oxopropyl)-5-(phenylthio)anilino]methylidene]carbamic acid methyl ester IUPAC Name: methyl (NZ)-N-[amino-[2-(butylcarbamoylamino)-5-phenylsulfanyl-N-propanoylanilino]methylidene]carbamate Traditional Name: (NZ)-N-[amino-[2-(butylcarbamoylamino)-5-(phenylthio)-N-propionyl-anilino]methylene]carbamic acid methyl ester Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O4S/c1-4-6-14-25-22(30)26-18-13-12-17(33-16-10-8-7-9-11-16)15-19(18)28(20(29)5-2)21(24)27-23(31)32-3/h7-13,15H,4-6,14H2,1-3H3,(H2,24,27,31)(H2,25,26,30)