N-[2-[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide

Systemtic Name: N-[2-[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide Openeye Name: N-[2-[2-(benzhydrylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide CAS Name: N-[2-[[2-[(diphenylmethyl)amino]-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]butanamide IUPAC Name: N-[2-[2-(benzhydrylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide Traditional Name: N-[2-[[2-(benzhydrylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]butyramide Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2S2/c1-2-9-23(30)27-20-14-15-21-22(16-20)33-26(28-21)32-17-24(31)29-25(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-16,25H,2,9,17H2,1H3,(H,27,30)(H,29,31)