3-chloranyl-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[2-[(N-ethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C25H20ClN3O2S2 MolecularWeight: 494.0282

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C25H20ClN3O2S2/c1-2-29(16-10-4-3-5-11-16)24(31)17-12-6-8-14-19(17)27-25(32)28-23(30)22-21(26)18-13-7-9-15-20(18)33-22/h3-15H,2H2,1H3,(H2,27,28,30,32)