N-[2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: N-[2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-[2-[2-(butylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: N-[2-[[2-(butylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-[2-[2-(butylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-[[2-(butylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S2/c1-2-3-11-21-18(24)13-26-20-23-16-10-9-15(12-17(16)27-20)22-19(25)14-7-5-4-6-8-14/h4-10,12H,2-3,11,13H2,1H3,(H,21,24)(H,22,25)