3-(4-tert-butyl-1,2,3-thiadiazol-5-yl)-1-[(4,7-dibutyl-1,3-dioxepan-2-yl)methyl]-1-methyl-urea

Systemtic Name: 3-(4-tert-butyl-1,2,3-thiadiazol-5-yl)-1-[(4,7-dibutyl-1,3-dioxepan-2-yl)methyl]-1-methyl-urea Openeye Name: 3-(4-tert-butylthiadiazol-5-yl)-1-[(4,7-dibutyl-1,3-dioxepan-2-yl)methyl]-1-methyl-urea CAS Name: 3-(4-tert-butyl-5-thiadiazolyl)-1-[(4,7-dibutyl-1,3-dioxepan-2-yl)methyl]-1-methylurea IUPAC Name: 3-(4-tert-butylthiadiazol-5-yl)-1-[(4,7-dibutyl-1,3-dioxepan-2-yl)methyl]-1-methylurea Traditional Name: 3-(4-tert-butylthiadiazol-5-yl)-1-[(4,7-dibutyl-1,3-dioxepan-2-yl)methyl]-1-methyl-urea Formula: C22H40N4O3S MolecularWeight: 440.643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(OC(O1)CN(C)C(=O)NC2=C(N=NS2)C(C)(C)C)CCCC

Isomeric SMILES

CCCCC1CCC(OC(O1)CN(C)C(=O)NC2=C(N=NS2)C(C)(C)C)CCCC

InChI

InChI=1S/C22H40N4O3S/c1-7-9-11-16-13-14-17(12-10-8-2)29-18(28-16)15-26(6)21(27)23-20-19(22(3,4)5)24-25-30-20/h16-18H,7-15H2,1-6H3,(H,23,27)