2-(butylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-sulfanylidene-ethanamide

Systemtic Name: 2-(butylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-sulfanylidene-ethanamide Openeye Name: 2-(butylamino)-N-[4-(4-pyridylmethyl)phenyl]-2-thioxo-acetamide CAS Name: 2-(butylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-sulfanylideneacetamide IUPAC Name: 2-(butylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-sulfanylideneacetamide Traditional Name: 2-(butylamino)-N-[4-(4-pyridylmethyl)phenyl]-2-thioxo-acetamide Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)C(=O)NC1=CC=C(C=C1)CC2=CC=NC=C2

Isomeric SMILES

CCCCNC(=S)C(=O)NC1=CC=C(C=C1)CC2=CC=NC=C2

InChI

InChI=1S/C18H21N3OS/c1-2-3-10-20-18(23)17(22)21-16-6-4-14(5-7-16)13-15-8-11-19-12-9-15/h4-9,11-12H,2-3,10,13H2,1H3,(H,20,23)(H,21,22)