N-[6-bromanyl-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxy-benzamide

Systemtic Name: N-[6-bromanyl-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxy-benzamide Openeye Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxy-benzamide CAS Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxybenzamide IUPAC Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxybenzamide Traditional Name: 3-amoxy-N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Formula: C23H27BrN2O3S MolecularWeight: 491.44108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CCOCC

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CCOCC

InChI

InChI=1S/C23H27BrN2O3S/c1-3-5-6-13-29-19-9-7-8-17(15-19)22(27)25-23-26(12-14-28-4-2)20-11-10-18(24)16-21(20)30-23/h7-11,15-16H,3-6,12-14H2,1-2H3