N-(heptylcarbamothioyl)-4-propan-2-yl-benzamide

Systemtic Name: N-(heptylcarbamothioyl)-4-propan-2-yl-benzamide Openeye Name: N-(heptylcarbamothioyl)-4-isopropyl-benzamide CAS Name: N-[(heptylamino)-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-(heptylcarbamothioyl)-4-propan-2-ylbenzamide Traditional Name: N-(heptylthiocarbamoyl)-4-isopropyl-benzamide Formula: C18H28N2OS MolecularWeight: 320.49272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC(=O)C1=CC=C(C=C1)C(C)C

Isomeric SMILES

CCCCCCCNC(=S)NC(=O)C1=CC=C(C=C1)C(C)C

InChI

InChI=1S/C18H28N2OS/c1-4-5-6-7-8-13-19-18(22)20-17(21)16-11-9-15(10-12-16)14(2)3/h9-12,14H,4-8,13H2,1-3H3,(H2,19,20,21,22)