4-azanyl-N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]butanamide

Systemtic Name: 4-azanyl-N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]butanamide Openeye Name: 4-amino-N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]butanamide CAS Name: 4-amino-N-[2-[(2-amino-2-oxoethyl)thio]phenyl]butanamide IUPAC Name: 4-amino-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide Traditional Name: 4-amino-N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]butyramide Formula: C12H17N3O2S MolecularWeight: 267.34728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCN)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCN)SCC(=O)N

InChI

InChI=1S/C12H17N3O2S/c13-7-3-6-12(17)15-9-4-1-2-5-10(9)18-8-11(14)16/h1-2,4-5H,3,6-8,13H2,(H2,14,16)(H,15,17)