tert-butyl N-[5-(benzenecarbonothioylamino)-1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)pentyl]carbamate

Systemtic Name: tert-butyl N-[5-(benzenecarbonothioylamino)-1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)pentyl]carbamate Openeye Name: tert-butyl N-[5-(benzenecarbonothioylamino)-1-(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)pentyl]carbamate CAS Name: N-[5-(benzenecarbonothioylamino)-1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)pentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(benzenecarbonothioylamino)-1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)pentyl]carbamate Traditional Name: N-[5-(benzenecarbonothioylamino)-1-(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)pentyl]carbamic acid tert-butyl ester Formula: C26H33N3O3S2 MolecularWeight: 499.68852

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=S)NC2=C(O1)C=CC(=C2)C(CCCCNC(=S)C3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1C(=S)NC2=C(O1)C=CC(=C2)C(CCCCNC(=S)C3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H33N3O3S2/c1-17-23(33)28-21-16-19(13-14-22(21)31-17)20(29-25(30)32-26(2,3)4)12-8-9-15-27-24(34)18-10-6-5-7-11-18/h5-7,10-11,13-14,16-17,20H,8-9,12,15H2,1-4H3,(H,27,34)(H,28,33)(H,29,30)