4-bromanyl-N-[3-oxidanylidene-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-oxidanylidene-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]benzamide Openeye Name: 4-bromo-N-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]benzamide CAS Name: 4-bromo-N-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]benzamide IUPAC Name: 4-bromo-N-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]benzamide Traditional Name: 4-bromo-N-[3-keto-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]benzamide Formula: C17H18BrN3O2S MolecularWeight: 408.31272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H18BrN3O2S/c18-12-7-5-11(6-8-12)16(23)19-10-9-15(22)21-17-20-13-3-1-2-4-14(13)24-17/h5-8H,1-4,9-10H2,(H,19,23)(H,20,21,22)