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

Systemtic Name: 4-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]-4-bromo-benzamide CAS Name: 4-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]-4-bromobenzamide Traditional Name: N-[2-[[2-(benzhydrylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-4-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=C(C=C5)Br

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=C(C=C5)Br

InChI

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