1-chloranyl-N-(3,4-dimethoxyphenyl)benzo[e][1]benzothiole-2-carboxamide

Systemtic Name: 1-chloranyl-N-(3,4-dimethoxyphenyl)benzo[e][1]benzothiole-2-carboxamide Openeye Name: 1-chloro-N-(3,4-dimethoxyphenyl)benzo[e]benzothiophene-2-carboxamide CAS Name: 1-chloro-N-(3,4-dimethoxyphenyl)-2-benzo[e][1]benzothiolecarboxamide IUPAC Name: 1-chloro-N-(3,4-dimethoxyphenyl)benzo[e][1]benzothiole-2-carboxamide Traditional Name: 1-chloro-N-(3,4-dimethoxyphenyl)benzo[e]benzothiophene-2-carboxamide Formula: C21H16ClNO3S MolecularWeight: 397.87464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)C=CC4=CC=CC=C43)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)C=CC4=CC=CC=C43)Cl)OC

InChI

InChI=1S/C21H16ClNO3S/c1-25-15-9-8-13(11-16(15)26-2)23-21(24)20-19(22)18-14-6-4-3-5-12(14)7-10-17(18)27-20/h3-11H,1-2H3,(H,23,24)