N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C20H13ClN4O5S2 MolecularWeight: 488.92402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H13ClN4O5S2/c1-29-16-9-17-13(8-12(16)21)22-20(32-17)24-19(31)23-18(26)15-6-5-14(30-15)10-3-2-4-11(7-10)25(27)28/h2-9H,1H3,(H2,22,23,24,26,31)