N-[6-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide

Systemtic Name: N-[6-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Openeye Name: N-[6-[(4-tert-butylbenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide CAS Name: N-[6-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]-2-furancarboxamide IUPAC Name: N-[6-[(4-tert-butylbenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Traditional Name: N-[6-[(4-tert-butylbenzoyl)thiocarbamoylamino]-1,3-benzothiazol-2-yl]-2-furamide Formula: C24H22N4O3S2 MolecularWeight: 478.58648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C24H22N4O3S2/c1-24(2,3)15-8-6-14(7-9-15)20(29)27-22(32)25-16-10-11-17-19(13-16)33-23(26-17)28-21(30)18-5-4-12-31-18/h4-13H,1-3H3,(H,26,28,30)(H2,25,27,29,32)