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

Systemtic Name: N-[6-[(3,4-dimethoxyphenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Openeye Name: N-[6-[(3,4-dimethoxybenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide CAS Name: N-[6-[[[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]-2-furancarboxamide IUPAC Name: N-[6-[(3,4-dimethoxybenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Traditional Name: N-[6-(veratroylthiocarbamoylamino)-1,3-benzothiazol-2-yl]-2-furamide Formula: C22H18N4O5S2 MolecularWeight: 482.53212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CO4)OC

InChI

InChI=1S/C22H18N4O5S2/c1-29-15-8-5-12(10-17(15)30-2)19(27)25-21(32)23-13-6-7-14-18(11-13)33-22(24-14)26-20(28)16-4-3-9-31-16/h3-11H,1-2H3,(H,24,26,28)(H2,23,25,27,32)