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

Systemtic Name: N-[6-[(3-chlorophenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Openeye Name: N-[6-[(3-chlorobenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide CAS Name: N-[6-[[[[(3-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]-2-furancarboxamide IUPAC Name: N-[6-[(3-chlorobenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Traditional Name: N-[6-[(3-chlorobenzoyl)thiocarbamoylamino]-1,3-benzothiazol-2-yl]-2-furamide Formula: C20H13ClN4O3S2 MolecularWeight: 456.92522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClN4O3S2/c21-12-4-1-3-11(9-12)17(26)24-19(29)22-13-6-7-14-16(10-13)30-20(23-14)25-18(27)15-5-2-8-28-15/h1-10H,(H,23,25,27)(H2,22,24,26,29)