N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[(4,5-dichloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C19H15Cl2N5O4S2 MolecularWeight: 512.3895

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=NC4=C(S3)C=CC(=C4Cl)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=NC4=C(S3)C=CC(=C4Cl)Cl

InChI

InChI=1S/C19H15Cl2N5O4S2/c20-12-2-4-14-16(15(12)21)22-19(32-14)24-18(31)23-17(27)11-9-10(26(28)29)1-3-13(11)25-5-7-30-8-6-25/h1-4,9H,5-8H2,(H2,22,23,24,27,31)