N-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C19H11ClN4O4S2 MolecularWeight: 458.89804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C19H11ClN4O4S2/c20-12-5-2-6-15-16(12)21-19(30-15)23-18(29)22-17(25)14-8-7-13(28-14)10-3-1-4-11(9-10)24(26)27/h1-9H,(H2,21,22,23,25,29)