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

Systemtic Name: N-[6-[(3-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Openeye Name: N-[6-[(3-chloro-4-methyl-benzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide CAS Name: N-[6-[[[[(3-chloro-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]-2-furancarboxamide IUPAC Name: N-[6-[(3-chloro-4-methylbenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide Traditional Name: N-[6-[(3-chloro-4-methyl-benzoyl)thiocarbamoylamino]-1,3-benzothiazol-2-yl]-2-furamide Formula: C21H15ClN4O3S2 MolecularWeight: 470.9518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN4O3S2/c1-11-4-5-12(9-14(11)22)18(27)25-20(30)23-13-6-7-15-17(10-13)31-21(24-15)26-19(28)16-3-2-8-29-16/h2-10H,1H3,(H,24,26,28)(H2,23,25,27,30)