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

Systemtic Name: N-(hexadecylcarbamothioyl)-4-propan-2-yl-benzamide Openeye Name: N-(hexadecylcarbamothioyl)-4-isopropyl-benzamide CAS Name: N-[(hexadecylamino)-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-(hexadecylcarbamothioyl)-4-propan-2-ylbenzamide Traditional Name: N-(cetylthiocarbamoyl)-4-isopropyl-benzamide Formula: C27H46N2OS MolecularWeight: 446.73194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46N2OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-27(31)29-26(30)25-20-18-24(19-21-25)23(2)3/h18-21,23H,4-17,22H2,1-3H3,(H2,28,29,30,31)