5-bromanyl-2-chloranyl-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[(6-morpholino-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[(6-morpholino-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C19H16BrClN4O2S2 MolecularWeight: 511.84294

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)N=C(S3)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(S3)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl

InChI

InChI=1S/C19H16BrClN4O2S2/c20-11-1-3-14(21)13(9-11)17(26)23-18(28)24-19-22-15-4-2-12(10-16(15)29-19)25-5-7-27-8-6-25/h1-4,9-10H,5-8H2,(H2,22,23,24,26,28)