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

Systemtic Name: 3-iodanyl-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 3-iodo-N-[(6-morpholino-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 3-iodo-N-[[[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 3-iodo-N-[(6-morpholino-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C19H17IN4O2S2 MolecularWeight: 524.39835

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17IN4O2S2/c20-13-3-1-2-12(10-13)17(25)22-18(27)23-19-21-15-5-4-14(11-16(15)28-19)24-6-8-26-9-7-24/h1-5,10-11H,6-9H2,(H2,21,22,23,25,27)