S-propan-2-yl 4-[(1-azanyl-1-oxidanylidene-butan-2-yl)amino]butanethioate

Systemtic Name: S-propan-2-yl 4-[(1-azanyl-1-oxidanylidene-butan-2-yl)amino]butanethioate Openeye Name: S-isopropyl 4-(1-carbamoylpropylamino)butanethioate CAS Name: 4-[(1-amino-1-oxobutan-2-yl)amino]butanethioic acid S-propan-2-yl ester IUPAC Name: S-propan-2-yl 4-[(1-amino-1-oxobutan-2-yl)amino]butanethioate Traditional Name: 4-(1-carbamoylpropylamino)butanethioic acid S-isopropyl ester Formula: C11H22N2O2S MolecularWeight: 246.36958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)NCCCC(=O)SC(C)C

Isomeric SMILES

CCC(C(=O)N)NCCCC(=O)SC(C)C

InChI

InChI=1S/C11H22N2O2S/c1-4-9(11(12)15)13-7-5-6-10(14)16-8(2)3/h8-9,13H,4-7H2,1-3H3,(H2,12,15)