N-(6-bromanyl-3-propyl-1,3-benzothiazol-2-ylidene)-3-butoxy-benzamide

Systemtic Name: N-(6-bromanyl-3-propyl-1,3-benzothiazol-2-ylidene)-3-butoxy-benzamide Openeye Name: N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-3-butoxy-benzamide CAS Name: N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-3-butoxybenzamide IUPAC Name: N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-3-butoxybenzamide Traditional Name: N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-3-butoxy-benzamide Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CCC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CCC

InChI

InChI=1S/C21H23BrN2O2S/c1-3-5-12-26-17-8-6-7-15(13-17)20(25)23-21-24(11-4-2)18-10-9-16(22)14-19(18)27-21/h6-10,13-14H,3-5,11-12H2,1-2H3