N-[5-[1,3-benzothiazol-2-yl-(3,5-dimethylphenyl)carbamoyl]-2-chloranyl-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[5-[1,3-benzothiazol-2-yl-(3,5-dimethylphenyl)carbamoyl]-2-chloranyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[5-[1,3-benzothiazol-2-yl-(3,5-dimethylphenyl)carbamoyl]-2-chloro-phenyl]thiophene-2-carboxamide CAS Name: N-[5-[[N-(1,3-benzothiazol-2-yl)-3,5-dimethylanilino]-oxomethyl]-2-chlorophenyl]-2-thiophenecarboxamide IUPAC Name: N-[5-[1,3-benzothiazol-2-yl-(3,5-dimethylphenyl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide Traditional Name: N-[5-[1,3-benzothiazol-2-yl-(3,5-dimethylphenyl)carbamoyl]-2-chloro-phenyl]thiophene-2-carboxamide Formula: C27H20ClN3O2S2 MolecularWeight: 518.0496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)Cl)NC(=O)C5=CC=CS5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)Cl)NC(=O)C5=CC=CS5)C

InChI

InChI=1S/C27H20ClN3O2S2/c1-16-12-17(2)14-19(13-16)31(27-30-21-6-3-4-7-23(21)35-27)26(33)18-9-10-20(28)22(15-18)29-25(32)24-8-5-11-34-24/h3-15H,1-2H3,(H,29,32)