N-[6-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide

Systemtic Name: N-[6-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Openeye Name: N-[6-[(3,5-dimethylbenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide CAS Name: N-[6-[[[[(3,5-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]-2-furancarboxamide IUPAC Name: N-[6-[(3,5-dimethylbenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Traditional Name: N-[6-[(3,5-dimethylbenzoyl)thiocarbamoylamino]-1,3-benzothiazol-2-yl]-2-furamide Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CO4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CO4)C

InChI

InChI=1S/C22H18N4O3S2/c1-12-8-13(2)10-14(9-12)19(27)25-21(30)23-15-5-6-16-18(11-15)31-22(24-16)26-20(28)17-4-3-7-29-17/h3-11H,1-2H3,(H,24,26,28)(H2,23,25,27,30)