3-chloranyl-N-[(4-cyanophenyl)carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(4-cyanophenyl)carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(4-cyanophenyl)carbamothioyl]-6-methoxy-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(4-cyanoanilino)-sulfanylidenemethyl]-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(4-cyanophenyl)carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(4-cyanophenyl)thiocarbamoyl]-6-methoxy-benzothiophene-2-carboxamide Formula: C18H12ClN3O2S2 MolecularWeight: 401.88978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C18H12ClN3O2S2/c1-24-12-6-7-13-14(8-12)26-16(15(13)19)17(23)22-18(25)21-11-4-2-10(9-20)3-5-11/h2-8H,1H3,(H2,21,22,23,25)