N-[2-(cyclohexen-1-yl)ethyl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-6-[(2-thioxo-1H-quinazolin-4-yl)amino]hexanamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-6-[(2-thioxo-1H-quinazolin-4-yl)amino]hexanamide Formula: C22H30N4OS MolecularWeight: 398.5648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)CCCCCNC2=NC(=S)NC3=CC=CC=C32

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)CCCCCNC2=NC(=S)NC3=CC=CC=C32

InChI

InChI=1S/C22H30N4OS/c27-20(23-16-14-17-9-3-1-4-10-17)13-5-2-8-15-24-21-18-11-6-7-12-19(18)25-22(28)26-21/h6-7,9,11-12H,1-5,8,10,13-16H2,(H,23,27)(H2,24,25,26,28)