N-[3-[1,3-benzothiazol-2-yl-(3,5-dimethylphenyl)amino]-3-oxidanylidene-1-phenyl-propyl]-2-chloranyl-benzamide

Systemtic Name: N-[3-[1,3-benzothiazol-2-yl-(3,5-dimethylphenyl)amino]-3-oxidanylidene-1-phenyl-propyl]-2-chloranyl-benzamide Openeye Name: N-[3-[N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-anilino]-3-oxo-1-phenyl-propyl]-2-chloro-benzamide CAS Name: N-[3-[N-(1,3-benzothiazol-2-yl)-3,5-dimethylanilino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide IUPAC Name: N-[3-[N-(1,3-benzothiazol-2-yl)-3,5-dimethylanilino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide Traditional Name: N-[3-[N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-anilino]-3-keto-1-phenyl-propyl]-2-chloro-benzamide Formula: C31H26ClN3O2S MolecularWeight: 540.07504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(C2=NC3=CC=CC=C3S2)C(=O)CC(C4=CC=CC=C4)NC(=O)C5=CC=CC=C5Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(C2=NC3=CC=CC=C3S2)C(=O)CC(C4=CC=CC=C4)NC(=O)C5=CC=CC=C5Cl)C

InChI

InChI=1S/C31H26ClN3O2S/c1-20-16-21(2)18-23(17-20)35(31-34-26-14-8-9-15-28(26)38-31)29(36)19-27(22-10-4-3-5-11-22)33-30(37)24-12-6-7-13-25(24)32/h3-18,27H,19H2,1-2H3,(H,33,37)