1-[7,7-bis(phenylsulfanyl)-5,6-dihydro-4H-1,3-benzothiazol-2-yl]-3-ethyl-urea

Systemtic Name: 1-[7,7-bis(phenylsulfanyl)-5,6-dihydro-4H-1,3-benzothiazol-2-yl]-3-ethyl-urea Openeye Name: 1-[7,7-bis(phenylsulfanyl)-5,6-dihydro-4H-1,3-benzothiazol-2-yl]-3-ethyl-urea CAS Name: 1-[7,7-bis(phenylthio)-5,6-dihydro-4H-1,3-benzothiazol-2-yl]-3-ethylurea IUPAC Name: 1-[7,7-bis(phenylsulfanyl)-5,6-dihydro-4H-1,3-benzothiazol-2-yl]-3-ethylurea Traditional Name: 1-[7,7-bis(phenylthio)-5,6-dihydro-4H-1,3-benzothiazol-2-yl]-3-ethyl-urea Formula: C22H23N3OS3 MolecularWeight: 441.63252

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(S1)C(CCC2)(SC3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCNC(=O)NC1=NC2=C(S1)C(CCC2)(SC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H23N3OS3/c1-2-23-20(26)25-21-24-18-14-9-15-22(19(18)27-21,28-16-10-5-3-6-11-16)29-17-12-7-4-8-13-17/h3-8,10-13H,2,9,14-15H2,1H3,(H2,23,24,25,26)