1-[4-[1-(thian-4-ylamino)ethyl]phenyl]urea

Systemtic Name: 1-[4-[1-(thian-4-ylamino)ethyl]phenyl]urea Openeye Name: [4-[1-(tetrahydrothiopyran-4-ylamino)ethyl]phenyl]urea CAS Name: [4-[1-(4-thianylamino)ethyl]phenyl]urea IUPAC Name: [4-[1-(thian-4-ylamino)ethyl]phenyl]urea Traditional Name: [4-[1-(tetrahydrothiopyran-4-ylamino)ethyl]phenyl]urea Formula: C14H21N3OS MolecularWeight: 279.40104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)N)NC2CCSCC2

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)N)NC2CCSCC2

InChI

InChI=1S/C14H21N3OS/c1-10(16-13-6-8-19-9-7-13)11-2-4-12(5-3-11)17-14(15)18/h2-5,10,13,16H,6-9H2,1H3,(H3,15,17,18)