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

Systemtic Name: N-[(3-butan-2-yloxyphenyl)carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(3-sec-butoxyphenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: N-[(3-butan-2-yloxyanilino)-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3-butan-2-yloxyphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(3-sec-butoxyphenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H19ClN2O2S2 MolecularWeight: 418.96006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H19ClN2O2S2/c1-3-12(2)25-14-8-6-7-13(11-14)22-20(26)23-19(24)18-17(21)15-9-4-5-10-16(15)27-18/h4-12H,3H2,1-2H3,(H2,22,23,24,26)