2,4-bis(chloranyl)-N-(3,4-dimethoxyphenyl)-N-[6-(2-phenylethanoylamino)-1,3-benzothiazol-2-yl]benzamide

Systemtic Name: 2,4-bis(chloranyl)-N-(3,4-dimethoxyphenyl)-N-[6-(2-phenylethanoylamino)-1,3-benzothiazol-2-yl]benzamide Openeye Name: 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[6-[(2-phenylacetyl)amino]-1,3-benzothiazol-2-yl]benzamide CAS Name: 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[6-[(1-oxo-2-phenylethyl)amino]-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[6-[(2-phenylacetyl)amino]-1,3-benzothiazol-2-yl]benzamide Traditional Name: 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[6-[(2-phenylacetyl)amino]-1,3-benzothiazol-2-yl]benzamide Formula: C30H23Cl2N3O4S MolecularWeight: 592.49232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(C2=NC3=C(S2)C=C(C=C3)NC(=O)CC4=CC=CC=C4)C(=O)C5=C(C=C(C=C5)Cl)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N(C2=NC3=C(S2)C=C(C=C3)NC(=O)CC4=CC=CC=C4)C(=O)C5=C(C=C(C=C5)Cl)Cl)OC

InChI

InChI=1S/C30H23Cl2N3O4S/c1-38-25-13-10-21(17-26(25)39-2)35(29(37)22-11-8-19(31)15-23(22)32)30-34-24-12-9-20(16-27(24)40-30)33-28(36)14-18-6-4-3-5-7-18/h3-13,15-17H,14H2,1-2H3,(H,33,36)