3-chloranyl-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[2-[(4-ethoxyanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[2-(p-phenetylcarbamoyl)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C25H20ClN3O3S2 MolecularWeight: 510.0276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C25H20ClN3O3S2/c1-2-32-16-13-11-15(12-14-16)27-23(30)17-7-3-5-9-19(17)28-25(33)29-24(31)22-21(26)18-8-4-6-10-20(18)34-22/h3-14H,2H2,1H3,(H,27,30)(H2,28,29,31,33)