N-(6-butyl-1,3-benzothiazol-2-yl)-4-iodanyl-benzamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-iodanyl-benzamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-iodo-benzamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-iodobenzamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-iodobenzamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-4-iodo-benzamide Formula: C18H17IN2OS MolecularWeight: 436.30985

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C18H17IN2OS/c1-2-3-4-12-5-10-15-16(11-12)23-18(20-15)21-17(22)13-6-8-14(19)9-7-13/h5-11H,2-4H2,1H3,(H,20,21,22)