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

Systemtic Name: methyl N-[4-[3-(2-azanylbutanoylamino)phenyl]sulfinylphenyl]carbamate Openeye Name: methyl N-[4-[3-(2-aminobutanoylamino)phenyl]sulfinylphenyl]carbamate CAS Name: N-[4-[3-[(2-amino-1-oxobutyl)amino]phenyl]sulfinylphenyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-[3-(2-aminobutanoylamino)phenyl]sulfinylphenyl]carbamate Traditional Name: N-[4-[3-(2-aminobutanoylamino)phenyl]sulfinylphenyl]carbamic acid methyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-3-16(19)17(22)20-13-5-4-6-15(11-13)26(24)14-9-7-12(8-10-14)21-18(23)25-2/h4-11,16H,3,19H2,1-2H3,(H,20,22)(H,21,23)