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

Systemtic Name: 3-chloranyl-N-[cyclobutylmethyl-(phenylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[benzyl(cyclobutylmethyl)carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[cyclobutylmethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[benzyl(cyclobutylmethyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[benzyl(cyclobutylmethyl)thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C22H21ClN2OS2 MolecularWeight: 428.99794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CN(CC2=CC=CC=C2)C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CC(C1)CN(CC2=CC=CC=C2)C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H21ClN2OS2/c23-19-17-11-4-5-12-18(17)28-20(19)21(26)24-22(27)25(14-16-9-6-10-16)13-15-7-2-1-3-8-15/h1-5,7-8,11-12,16H,6,9-10,13-14H2,(H,24,26,27)