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

Systemtic Name: N-[6-[(3,4-dichlorophenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Openeye Name: N-[6-[(3,4-dichlorobenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide CAS Name: N-[6-[[[[(3,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]-2-furancarboxamide IUPAC Name: N-[6-[(3,4-dichlorobenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Traditional Name: N-[6-[(3,4-dichlorobenzoyl)thiocarbamoylamino]-1,3-benzothiazol-2-yl]-2-furamide Formula: C20H12Cl2N4O3S2 MolecularWeight: 491.37028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=COC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H12Cl2N4O3S2/c21-12-5-3-10(8-13(12)22)17(27)25-19(30)23-11-4-6-14-16(9-11)31-20(24-14)26-18(28)15-2-1-7-29-15/h1-9H,(H,24,26,28)(H2,23,25,27,30)