N-[3-(1,3-benzothiazol-2-ylmethylamino)-3-oxidanylidene-propyl]-4-bromanyl-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylmethylamino)-3-oxidanylidene-propyl]-4-bromanyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylmethylamino)-3-oxo-propyl]-4-bromo-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-ylmethylamino)-3-oxopropyl]-4-bromobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylmethylamino)-3-oxopropyl]-4-bromobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylmethylamino)-3-keto-propyl]-4-bromo-benzamide Formula: C18H16BrN3O2S MolecularWeight: 418.30754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CNC(=O)CCNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CNC(=O)CCNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN3O2S/c19-13-7-5-12(6-8-13)18(24)20-10-9-16(23)21-11-17-22-14-3-1-2-4-15(14)25-17/h1-8H,9-11H2,(H,20,24)(H,21,23)