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

Systemtic Name: N-[6-[(3,5-diethoxyphenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Openeye Name: N-[6-[(3,5-diethoxybenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide CAS Name: N-[6-[[[[(3,5-diethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]-2-furancarboxamide IUPAC Name: N-[6-[(3,5-diethoxybenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Traditional Name: N-[6-[(3,5-diethoxybenzoyl)thiocarbamoylamino]-1,3-benzothiazol-2-yl]-2-furamide Formula: C24H22N4O5S2 MolecularWeight: 510.58528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CO4)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CO4)OCC

InChI

InChI=1S/C24H22N4O5S2/c1-3-31-16-10-14(11-17(13-16)32-4-2)21(29)27-23(34)25-15-7-8-18-20(12-15)35-24(26-18)28-22(30)19-6-5-9-33-19/h5-13H,3-4H2,1-2H3,(H,26,28,30)(H2,25,27,29,34)