N-[4-(1,3-benzothiazol-3-ium-2-yl)-3-oxidanyl-phenyl]-3-butoxy-benzamide

Systemtic Name: N-[4-(1,3-benzothiazol-3-ium-2-yl)-3-oxidanyl-phenyl]-3-butoxy-benzamide Openeye Name: N-[4-(1,3-benzothiazol-3-ium-2-yl)-3-hydroxy-phenyl]-3-butoxy-benzamide CAS Name: N-[4-(1,3-benzothiazol-3-ium-2-yl)-3-hydroxyphenyl]-3-butoxybenzamide IUPAC Name: N-[4-(1,3-benzothiazol-3-ium-2-yl)-3-hydroxyphenyl]-3-butoxybenzamide Traditional Name: N-[4-(1,3-benzothiazol-3-ium-2-yl)-3-hydroxy-phenyl]-3-butoxy-benzamide Formula: C24H23N2O3S+ MolecularWeight: 419.51602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)C3=[NH+]C4=CC=CC=C4S3)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)C3=[NH+]C4=CC=CC=C4S3)O

InChI

InChI=1S/C24H22N2O3S/c1-2-3-13-29-18-8-6-7-16(14-18)23(28)25-17-11-12-19(21(27)15-17)24-26-20-9-4-5-10-22(20)30-24/h4-12,14-15,27H,2-3,13H2,1H3,(H,25,28)/p+1