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

Systemtic Name: 2-bromanyl-N-[2-[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-[2-[2-(benzhydrylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-bromo-benzamide CAS Name: 2-bromo-N-[2-[[2-[(diphenylmethyl)amino]-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-[2-[2-(benzhydrylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-bromobenzamide Traditional Name: N-[2-[[2-(benzhydrylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-bromo-benzamide Formula: C29H22BrN3O2S2 MolecularWeight: 588.53788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=CC=C5Br

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=CC=C5Br

InChI

InChI=1S/C29H22BrN3O2S2/c30-23-14-8-7-13-22(23)28(35)31-21-15-16-24-25(17-21)37-29(32-24)36-18-26(34)33-27(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-17,27H,18H2,(H,31,35)(H,33,34)