N-carboxy-1-(phenylmethylsulfanyl)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-amine oxide

Systemtic Name: N-carboxy-1-(phenylmethylsulfanyl)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-amine oxide Openeye Name: 1-benzylsulfanyl-N-carboxy-N-[(5-isopropylthiazol-2-yl)amino]propan-2-amine oxide CAS Name: N-carboxy-1-(phenylmethylthio)-N-[(5-propan-2-yl-2-thiazolyl)amino]-2-propanamine oxide IUPAC Name: 1-benzylsulfanyl-N-carboxy-N-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-amine oxide Traditional Name: 1-(benzylthio)-N-carboxy-N-[(5-isopropylthiazol-2-yl)amino]propan-2-amine oxide Formula: C17H23N3O3S2 MolecularWeight: 381.51282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CN=C(S1)N[N+](C(C)CSCC2=CC=CC=C2)(C(=O)O)[O-]

Isomeric SMILES

CC(C)C1=CN=C(S1)N[N+](C(C)CSCC2=CC=CC=C2)(C(=O)O)[O-]

InChI

InChI=1S/C17H23N3O3S2/c1-12(2)15-9-18-16(25-15)19-20(23,17(21)22)13(3)10-24-11-14-7-5-4-6-8-14/h4-9,12-13H,10-11H2,1-3H3,(H,18,19)(H,21,22)