3-chloranyl-N-[(3-heptoxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(3-heptoxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(3-heptoxyphenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(3-heptoxyanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(3-heptoxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(3-heptoxyphenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C23H25ClN2O2S2 MolecularWeight: 461.0398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C23H25ClN2O2S2/c1-2-3-4-5-8-14-28-17-11-9-10-16(15-17)25-23(29)26-22(27)21-20(24)18-12-6-7-13-19(18)30-21/h6-7,9-13,15H,2-5,8,14H2,1H3,(H2,25,26,27,29)