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

Systemtic Name: methyl N-[4-[3-(2-azanylbutanoylamino)phenyl]sulfanylphenyl]carbamate Openeye Name: methyl N-[4-[3-(2-aminobutanoylamino)phenyl]sulfanylphenyl]carbamate CAS Name: N-[4-[[3-[(2-amino-1-oxobutyl)amino]phenyl]thio]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-[3-(2-aminobutanoylamino)phenyl]sulfanylphenyl]carbamate Traditional Name: N-[4-[[3-(2-aminobutanoylamino)phenyl]thio]phenyl]carbamic acid methyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-3-16(19)17(22)20-13-5-4-6-15(11-13)25-14-9-7-12(8-10-14)21-18(23)24-2/h4-11,16H,3,19H2,1-2H3,(H,20,22)(H,21,23)