3-chloranyl-N-[ethyl(pyridin-4-ylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[ethyl(pyridin-4-ylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[ethyl(4-pyridylmethyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[ethyl(pyridin-4-ylmethyl)amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[ethyl(pyridin-4-ylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[ethyl(4-pyridylmethyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C18H16ClN3OS2 MolecularWeight: 389.92214

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCN(CC1=CC=NC=C1)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C18H16ClN3OS2/c1-2-22(11-12-7-9-20-10-8-12)18(24)21-17(23)16-15(19)13-5-3-4-6-14(13)25-16/h3-10H,2,11H2,1H3,(H,21,23,24)