N-[(3S)-2-oxidanylidene-1-(prop-2-enylcarbamothioyl)azepan-3-yl]methanamide

Systemtic Name: N-[(3S)-2-oxidanylidene-1-(prop-2-enylcarbamothioyl)azepan-3-yl]methanamide Openeye Name: N-[(3S)-1-(allylcarbamothioyl)-2-oxo-azepan-3-yl]formamide CAS Name: N-[(3S)-2-oxo-1-[(prop-2-enylamino)-sulfanylidenemethyl]-3-azepanyl]formamide IUPAC Name: N-[(3S)-2-oxo-1-(prop-2-enylcarbamothioyl)azepan-3-yl]formamide Traditional Name: N-[(3S)-1-(allylthiocarbamoyl)-2-keto-azepan-3-yl]formamide Formula: C11H17N3O2S MolecularWeight: 255.33658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CCCCC(C1=O)NC=O

Isomeric SMILES

C=CCNC(=S)N1CCCC[C@@H](C1=O)NC=O

InChI

InChI=1S/C11H17N3O2S/c1-2-6-12-11(17)14-7-4-3-5-9(10(14)16)13-8-15/h2,8-9H,1,3-7H2,(H,12,17)(H,13,15)/t9-/m0/s1