methyl N-[4-[3-(2-azanylpropanoylamino)phenyl]sulfanylphenyl]carbamate

Systemtic Name: methyl N-[4-[3-(2-azanylpropanoylamino)phenyl]sulfanylphenyl]carbamate Openeye Name: methyl N-[4-[3-(2-aminopropanoylamino)phenyl]sulfanylphenyl]carbamate CAS Name: N-[4-[[3-[(2-amino-1-oxopropyl)amino]phenyl]thio]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-[3-(2-aminopropanoylamino)phenyl]sulfanylphenyl]carbamate Traditional Name: N-[4-[[3-(alanylamino)phenyl]thio]phenyl]carbamic acid methyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c1-11(18)16(21)19-13-4-3-5-15(10-13)24-14-8-6-12(7-9-14)20-17(22)23-2/h3-11H,18H2,1-2H3,(H,19,21)(H,20,22)