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

Systemtic Name: 3-chloranyl-N-[cyclopropylmethyl-(phenylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[benzyl(cyclopropylmethyl)carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[cyclopropylmethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[benzyl(cyclopropylmethyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[benzyl(cyclopropylmethyl)thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C21H19ClN2OS2 MolecularWeight: 414.97136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN(CC2=CC=CC=C2)C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CC1CN(CC2=CC=CC=C2)C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H19ClN2OS2/c22-18-16-8-4-5-9-17(16)27-19(18)20(25)23-21(26)24(13-15-10-11-15)12-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,23,25,26)