1,10-diethyl-6-sulfanylidene-1,4,7,10-tetrazacyclotridecan-5-one

Systemtic Name: 1,10-diethyl-6-sulfanylidene-1,4,7,10-tetrazacyclotridecan-5-one Openeye Name: 1,10-diethyl-6-thioxo-1,4,7,10-tetrazacyclotridecan-5-one CAS Name: 1,10-diethyl-6-sulfanylidene-1,4,7,10-tetrazacyclotridecan-5-one IUPAC Name: 1,10-diethyl-6-sulfanylidene-1,4,7,10-tetrazacyclotridecan-5-one Traditional Name: 1,10-diethyl-6-thioxo-1,4,7,10-tetrazacyclotridecan-5-one Formula: C13H26N4OS MolecularWeight: 286.43674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCN(CCNC(=S)C(=O)NCC1)CC

Isomeric SMILES

CCN1CCCN(CCNC(=S)C(=O)NCC1)CC

InChI

InChI=1S/C13H26N4OS/c1-3-16-8-5-9-17(4-2)11-7-15-13(19)12(18)14-6-10-16/h3-11H2,1-2H3,(H,14,18)(H,15,19)