3,6-bis(chloranyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(4-pyrrolidinophenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H17Cl2N3OS2 MolecularWeight: 450.40448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H17Cl2N3OS2/c21-12-3-8-15-16(11-12)28-18(17(15)22)19(26)24-20(27)23-13-4-6-14(7-5-13)25-9-1-2-10-25/h3-8,11H,1-2,9-10H2,(H2,23,24,26,27)