1-[3-(carbamothioylamino)-4-oxidanylidene-quinazolin-2-yl]heptadecane-1-sulfonate

Systemtic Name: 1-[3-(carbamothioylamino)-4-oxidanylidene-quinazolin-2-yl]heptadecane-1-sulfonate Openeye Name: 1-[3-(carbamothioylamino)-4-oxo-quinazolin-2-yl]heptadecane-1-sulfonate CAS Name: 1-[3-(carbamothioylamino)-4-oxo-2-quinazolinyl]-1-heptadecanesulfonate IUPAC Name: 1-[3-(carbamothioylamino)-4-oxoquinazolin-2-yl]heptadecane-1-sulfonate Traditional Name: 1-(4-keto-3-thioureido-quinazolin-2-yl)heptadecane-1-sulfonate Formula: C26H41N4O4S2- MolecularWeight: 537.75814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=NC2=CC=CC=C2C(=O)N1NC(=S)N)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=NC2=CC=CC=C2C(=O)N1NC(=S)N)S(=O)(=O)[O-]

InChI

InChI=1S/C26H42N4O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-23(36(32,33)34)24-28-22-19-17-16-18-21(22)25(31)30(24)29-26(27)35/h16-19,23H,2-15,20H2,1H3,(H3,27,29,35)(H,32,33,34)/p-1