1-chloranyl-N-(4-phenylazanylphenyl)benzo[e][1]benzothiole-2-carboxamide

Systemtic Name: 1-chloranyl-N-(4-phenylazanylphenyl)benzo[e][1]benzothiole-2-carboxamide Openeye Name: N-(4-anilinophenyl)-1-chloro-benzo[e]benzothiophene-2-carboxamide CAS Name: N-(4-anilinophenyl)-1-chloro-2-benzo[e][1]benzothiolecarboxamide IUPAC Name: N-(4-anilinophenyl)-1-chlorobenzo[e][1]benzothiole-2-carboxamide Traditional Name: N-(4-anilinophenyl)-1-chloro-benzo[e]benzothiophene-2-carboxamide Formula: C25H17ClN2OS MolecularWeight: 428.93328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=CC5=CC=CC=C54)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=CC5=CC=CC=C54)Cl

InChI

InChI=1S/C25H17ClN2OS/c26-23-22-20-9-5-4-6-16(20)10-15-21(22)30-24(23)25(29)28-19-13-11-18(12-14-19)27-17-7-2-1-3-8-17/h1-15,27H,(H,28,29)