N-[[4-(furan-2-ylcarbonylamino)-3-methyl-phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[4-(furan-2-ylcarbonylamino)-3-methyl-phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[4-(furan-2-carbonylamino)-3-methyl-phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[4-[[2-furanyl(oxo)methyl]amino]-3-methylanilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[4-(furan-2-carbonylamino)-3-methylphenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[4-(2-furoylamino)-3-methyl-phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C20H15N5O3S2 MolecularWeight: 437.4948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2)NC(=O)C4=CC=CO4

InChI

InChI=1S/C20H15N5O3S2/c1-11-9-13(5-7-14(11)22-19(27)17-3-2-8-28-17)21-20(29)23-18(26)12-4-6-15-16(10-12)25-30-24-15/h2-10H,1H3,(H,22,27)(H2,21,23,26,29)