N-(6-azanyl-1,3-benzothiazol-2-yl)-2-chloranyl-N-(3,4-dimethoxyphenyl)benzamide

Systemtic Name: N-(6-azanyl-1,3-benzothiazol-2-yl)-2-chloranyl-N-(3,4-dimethoxyphenyl)benzamide Openeye Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide CAS Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide IUPAC Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide Traditional Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(C2=NC3=C(S2)C=C(C=C3)N)C(=O)C4=CC=CC=C4Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N(C2=NC3=C(S2)C=C(C=C3)N)C(=O)C4=CC=CC=C4Cl)OC

InChI

InChI=1S/C22H18ClN3O3S/c1-28-18-10-8-14(12-19(18)29-2)26(21(27)15-5-3-4-6-16(15)23)22-25-17-9-7-13(24)11-20(17)30-22/h3-12H,24H2,1-2H3