1-[4-[3-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)cyclohexa-1,3-dien-1-yl]phenyl]urea

Systemtic Name: 1-[4-[3-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)cyclohexa-1,3-dien-1-yl]phenyl]urea Openeye Name: [4-[3-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)cyclohexa-1,3-dien-1-yl]phenyl]urea CAS Name: [4-[3-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-1-cyclohexa-1,3-dienyl]phenyl]urea IUPAC Name: [4-[3-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)cyclohexa-1,3-dien-1-yl]phenyl]urea Traditional Name: [4-[3-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)cyclohexa-1,3-dien-1-yl]phenyl]urea Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2CCCCC2)SC(=N1)C3=CCCC(=C3)C4=CC=C(C=C4)NC(=O)N

Isomeric SMILES

CN1C(=NC2CCCCC2)SC(=N1)C3=CCCC(=C3)C4=CC=C(C=C4)NC(=O)N

InChI

InChI=1S/C22H27N5OS/c1-27-22(25-18-8-3-2-4-9-18)29-20(26-27)17-7-5-6-16(14-17)15-10-12-19(13-11-15)24-21(23)28/h7,10-14,18H,2-6,8-9H2,1H3,(H3,23,24,28)